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

C17H26N2O2S — CID 120716650

IUPAC4-cyclohexyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCCNC1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H26N2O2S/c20-22(21,19-16-7-4-12-18-13-16)17-10-8-15(9-11-17)14-5-2-1-3-6-14/h8-11,14,16,18-19H,1-7,12-13H2/t16-/m0/s1
InChIKeySRZCHICXDRNPSL-INIZCTEOSA-N
MW322.47 g/mol
LogP2.76
Rot. Bonds4

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

4-cyclohexyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide (PubChem CID 120716650) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 4-cyclohexyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
PubChem CID120716650
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name4-cyclohexyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@H]1CCCNC1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H26N2O2S/c20-22(21,19-16-7-4-12-18-13-16)17-10-8-15(9-11-17)14-5-2-1-3-6-14/h8-11,14,16,18-19H,1-7,12-13H2/t16-/m0/s1
InChIKeySRZCHICXDRNPSL-INIZCTEOSA-N
XLogP2.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966752
4-cyclohexyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960370
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700
N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63321069
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120716651
4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964408
N-[4-[[(3R)-piperidin-3-yl]sulfamoyl]phenyl]acetamide
CID 104645741
N-cyclohexyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 3934633
N-cyclohexyl-4-[(3S)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 714404
N-piperidin-3-ylnaphthalene-2-sulfonamide
CID 63321555

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide (CID 120716650) is 4-cyclohexyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide is O=S(=O)(N[C@H]1CCCNC1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
The InChIKey is SRZCHICXDRNPSL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O2S/c20-22(21,19-16-7-4-12-18-13-16)17-10-8-15(9-11-17)14-5-2-1-3-6-14/h8-11,14,16,18-19H,1-7,12-13H2/t16-/m0/s1.
What are the key properties of 4-cyclohexyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide?
4-cyclohexyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide has a molecular weight of 322.47 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 120716650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).