4-cyclohexyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

C16H25ClN2O2S — CID 119966752

IUPAC4-cyclohexyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNC1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H24N2O2S.ClH/c19-21(20,18-15-10-11-17-12-15)16-8-6-14(7-9-16)13-4-2-1-3-5-13;/h6-9,13,15,17-18H,1-5,10-12H2;1H
InChIKeyIKQKMXLDHLOGHT-UHFFFAOYSA-N
MW344.91 g/mol
LogP2.80
Rot. Bonds4

About 4-cyclohexyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride

4-cyclohexyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (PubChem CID 119966752) has the molecular formula C16H25ClN2O2S and a molecular weight of 344.91 g/mol. Its IUPAC name is 4-cyclohexyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-cyclohexyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
PubChem CID119966752
Molecular FormulaC16H25ClN2O2S
Molecular Weight344.91 g/mol
Exact Mass344.13
IUPAC Name4-cyclohexyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNC1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H24N2O2S.ClH/c19-21(20,18-15-10-11-17-12-15)16-8-6-14(7-9-16)13-4-2-1-3-5-13;/h6-9,13,15,17-18H,1-5,10-12H2;1H
InChIKeyIKQKMXLDHLOGHT-UHFFFAOYSA-N
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexyl-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 120716650
4-cyclohexyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960370
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685701
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
4-nitro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685610
N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 79684944
4-(pyrrolidin-3-ylsulfamoyl)benzamide
CID 62378636
4-(2-methylbutan-2-yl)-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967100
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
N-cyclohexyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 3934633
N-cyclohexyl-4-[(3S)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 714404

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-cyclohexyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride (CID 119966752) is 4-cyclohexyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-cyclohexyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-cyclohexyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCNC1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
The InChIKey is IKQKMXLDHLOGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S.ClH/c19-21(20,18-15-10-11-17-12-15)16-8-6-14(7-9-16)13-4-2-1-3-5-13;/h6-9,13,15,17-18H,1-5,10-12H2;1H.
What are the key properties of 4-cyclohexyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride?
4-cyclohexyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride has a molecular weight of 344.91 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119966752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).