N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide

C18H22N2O2S — CID 70598205

IUPACN-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC3CCCC3)cc2)cc1
InChIInChI=1S/C18H22N2O2S/c1-14-6-12-18(13-7-14)23(21,22)20-17-10-8-16(9-11-17)19-15-4-2-3-5-15/h6-13,15,19-20H,2-5H2,1H3
InChIKeyAQWZCIZYWWQZGN-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.15
Rot. Bonds5

About N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide

N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide (PubChem CID 70598205) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide
PubChem CID70598205
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC3CCCC3)cc2)cc1
InChIInChI=1S/C18H22N2O2S/c1-14-6-12-18(13-7-14)23(21,22)20-17-10-8-16(9-11-17)19-15-4-2-3-5-15/h6-13,15,19-20H,2-5H2,1H3
InChIKeyAQWZCIZYWWQZGN-UHFFFAOYSA-N
XLogP4.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[4-(cyclopentylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112980678
N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112980658
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454135
N-[4-(cyclopropylamino)phenyl]-4-methoxybenzenesulfonamide
CID 112980023
4-(cyclohexylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454130
4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454160
N-[6-(cyclopentylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16941993
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide
CID 1350854
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[4-(cycloheptylamino)phenyl]ethanesulfonamide
CID 60932393
N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide
CID 1121471

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide (CID 70598205) is N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC3CCCC3)cc2)cc1.
What is the InChIKey of N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is AQWZCIZYWWQZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-14-6-12-18(13-7-14)23(21,22)20-17-10-8-16(9-11-17)19-15-4-2-3-5-15/h6-13,15,19-20H,2-5H2,1H3.
What are the key properties of N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide?
N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 330.45 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylamino)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 70598205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).