N-cyclohexyl-4-[(3S)-5-oxopyrrolidin-3-yl]benzenesulfonamide

C16H22N2O3S — CID 714404

IUPACN-cyclohexyl-4-[(3S)-5-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESO=C1C[C@@H](c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CN1
InChIInChI=1S/C16H22N2O3S/c19-16-10-13(11-17-16)12-6-8-15(9-7-12)22(20,21)18-14-4-2-1-3-5-14/h6-9,13-14,18H,1-5,10-11H2,(H,17,19)/t13-/m1/s1
InChIKeyHHMXBZQYBYQZTA-CYBMUJFWSA-N
MW322.43 g/mol
LogP1.90
Rot. Bonds4

About N-cyclohexyl-4-[(3S)-5-oxopyrrolidin-3-yl]benzenesulfonamide

N-cyclohexyl-4-[(3S)-5-oxopyrrolidin-3-yl]benzenesulfonamide (PubChem CID 714404) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-cyclohexyl-4-[(3S)-5-oxopyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(3S)-5-oxopyrrolidin-3-yl]benzenesulfonamide
PubChem CID714404
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-cyclohexyl-4-[(3S)-5-oxopyrrolidin-3-yl]benzenesulfonamide
SMILESO=C1C[C@@H](c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CN1
InChIInChI=1S/C16H22N2O3S/c19-16-10-13(11-17-16)12-6-8-15(9-7-12)22(20,21)18-14-4-2-1-3-5-14/h6-9,13-14,18H,1-5,10-11H2,(H,17,19)/t13-/m1/s1
InChIKeyHHMXBZQYBYQZTA-CYBMUJFWSA-N
XLogP1.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 3934633
4-cyclohexyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 120716650
4-cyclohexyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960370
4-(4-cyclopropylphenyl)pyrrolidin-2-one
CID 79978170
4-cyclohexyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966752
N-[3,5-bis(trifluoromethyl)phenyl]-4-[(3R)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 1249169
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
4-fluoro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide
CID 25023505
4-bromo-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62490790
N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673
1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 859646
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(3S)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-[(3S)-5-oxopyrrolidin-3-yl]benzenesulfonamide (CID 714404) is N-cyclohexyl-4-[(3S)-5-oxopyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-[(3S)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-[(3S)-5-oxopyrrolidin-3-yl]benzenesulfonamide is O=C1C[C@@H](c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CN1.
What is the InChIKey of N-cyclohexyl-4-[(3S)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is HHMXBZQYBYQZTA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2O3S/c19-16-10-13(11-17-16)12-6-8-15(9-7-12)22(20,21)18-14-4-2-1-3-5-14/h6-9,13-14,18H,1-5,10-11H2,(H,17,19)/t13-/m1/s1.
What are the key properties of N-cyclohexyl-4-[(3S)-5-oxopyrrolidin-3-yl]benzenesulfonamide?
N-cyclohexyl-4-[(3S)-5-oxopyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 322.43 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(3S)-5-oxopyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 714404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).