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tert-butyl 3-(3-carbamoylbenzenesulfonyl)pyrrolidine-1-carboxylate

tert-butyl 3-(3-carbamoylbenzenesulfonyl)pyrrolidine-1-carboxylate

CAS: 887587-83-9

Formula: C16H22N2O5S

SMILES: CC(C)(C)OC(=O)N1CCC(C1)S(=O)(=O)C1=CC(=CC=C1)C(N)=O

IUPAC: tert-butyl 3-(3-carbamoylbenzenesulfonyl)pyrrolidine-1-carboxylate

InChI: InChI=1/C16H22N2O5S/c1-16(2,3)23-15(20)18-8-7-13(10-18)24(21,22)12-6-4-5-11(9-12)14(17)19/h4-6,9,13H,7-8,10H2,1-3H3,(H2,17,19)

Composition: C (54.22%), H (6.26%), N (7.90%), O (22.57%), S (9.05%)

Molar Mass: 354.42

Atom Count: 46

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 354.12494299
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey FHNZVXCONNVBGK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 89.05
Topological Polar Surface Area 106.77
Polarizability 35.13
Ring Count 2
Rotatable Bond Count 5

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95% <5 Days 887587-83-9 $2,640.00-$4,306.00$2,640.00$3,520.00$4,306.00
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