N-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide

C18H22N2O2S — CID 110362204

IUPACN-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide
SMILESCc1ccc(N2CCCCC2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22N2O2S/c1-15-10-11-16(20-12-6-3-7-13-20)14-18(15)19-23(21,22)17-8-4-2-5-9-17/h2,4-5,8-11,14,19H,3,6-7,12-13H2,1H3
InChIKeyDHJHJQUBCILADA-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.79
Rot. Bonds4

About N-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide

N-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide (PubChem CID 110362204) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide
PubChem CID110362204
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide
SMILESCc1ccc(N2CCCCC2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22N2O2S/c1-15-10-11-16(20-12-6-3-7-13-20)14-18(15)19-23(21,22)17-8-4-2-5-9-17/h2,4-5,8-11,14,19H,3,6-7,12-13H2,1H3
InChIKeyDHJHJQUBCILADA-UHFFFAOYSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362516
4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 110361741
N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359707
N-[5-(azepan-1-yl)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide
CID 13062385
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide
CID 110362056
N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-2-methylbenzenesulfonamide;hydrochloride
CID 22272444
N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 10166293
N-(2-chloro-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362791
N-[4-(azepan-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 112985765
4-methyl-N-(2-methyl-5-pyrrol-1-ylphenyl)benzenesulfonamide
CID 46242018
4-fluoro-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359709
N-(2-fluorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168514445

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of N-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide (CID 110362204) is N-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for N-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide is Cc1ccc(N2CCCCC2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is DHJHJQUBCILADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-15-10-11-16(20-12-6-3-7-13-20)14-18(15)19-23(21,22)17-8-4-2-5-9-17/h2,4-5,8-11,14,19H,3,6-7,12-13H2,1H3.
What are the key properties of N-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide?
N-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide has a molecular weight of 330.45 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 110362204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).