ethyl N-(4-methylbenzenesulfonyl)carbamate

ethyl N-(4-methylbenzenesulfonyl)carbamate

CAS: 5577-13-9

Formula: C10H13NO4S

SMILES: CCOC(=O)NS(=O)(=O)C1=CC=C(C)C=C1

IUPAC: ethyl N-(4-methylbenzenesulfonyl)carbamate

InChI: InChI=1S/C10H13NO4S/c1-3-15-10(12)11-16(13,14)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H,11,12)

Composition: C (49.37%), H (5.39%), N (5.76%), O (26.31%), S (13.18%)

Molar Mass: 243.28

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	243.056529077
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DFWQXANLGSXMKF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.2
Topological Polar Surface Area	72.47
Polarizability	23.72
Ring Count	1
Rotatable Bond Count	3

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