5-phenyl-1H-pyrrol-3-yl (2S)-2-(4-methylbenzenesulfonamido)propanoate

5-phenyl-1H-pyrrol-3-yl (2S)-2-(4-methylbenzenesulfonamido)propanoate

CAS: 99740-00-8

Formula: C20H20N2O4S

SMILES: C[C@H](NS(=O)(=O)C1=CC=C(C)C=C1)C(=O)OC1=CNC(=C1)C1=CC=CC=C1

IUPAC: 5-phenyl-1H-pyrrol-3-yl (2S)-2-(4-methylbenzenesulfonamido)propanoate

InChI: InChI=1S/C20H20N2O4S/c1-14-8-10-18(11-9-14)27(24,25)22-15(2)20(23)26-17-12-19(21-13-17)16-6-4-3-5-7-16/h3-13,15,21-22H,1-2H3/t15-/m0/s1

Composition: C (62.48%), H (5.24%), N (7.29%), O (16.65%), S (8.34%)

Molar Mass: 384.45

Atom Count: 47

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	384.114378306
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	VZALJYJCTCKOHO-HNNXBMFYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.05
Topological Polar Surface Area	88.26
Polarizability	41.87
Ring Count	3
Rotatable Bond Count	6

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