4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

C23H28N2O3S — CID 24656637

IUPAC4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1)N1CCCC1
InChIInChI=1S/C23H28N2O3S/c26-23(25-16-4-5-17-25)20-8-12-21(13-9-20)24-29(27,28)22-14-10-19(11-15-22)18-6-2-1-3-7-18/h8-15,18,24H,1-7,16-17H2
InChIKeyWZSIGMWKHMPEPN-UHFFFAOYSA-N
MW412.56 g/mol
LogP4.77
Rot. Bonds5

About 4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 24656637) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is 4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID24656637
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Name4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1)N1CCCC1
InChIInChI=1S/C23H28N2O3S/c26-23(25-16-4-5-17-25)20-8-12-21(13-9-20)24-29(27,28)22-14-10-19(11-15-22)18-6-2-1-3-7-18/h8-15,18,24H,1-7,16-17H2
InChIKeyWZSIGMWKHMPEPN-UHFFFAOYSA-N
XLogP4.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688
N-phenyl-4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 24660136
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
4-(pyrrolidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 109059218
N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059185
N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide
CID 22203693
propan-2-yl 4-[(4-cyclohexylphenyl)sulfonylamino]benzoate
CID 7938910
4-fluoro-N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 78802442
4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 56512192
N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 56544473
1-[4-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide
CID 18159134
4-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 17492250

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (CID 24656637) is 4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is O=C(c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1)N1CCCC1.
What is the InChIKey of 4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is WZSIGMWKHMPEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c26-23(25-16-4-5-17-25)20-8-12-21(13-9-20)24-29(27,28)22-14-10-19(11-15-22)18-6-2-1-3-7-18/h8-15,18,24H,1-7,16-17H2.
What are the key properties of 4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 412.56 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 24656637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).