4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide

C18H22N2O2S — CID 110361741

IUPAC4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(N3CCCC3)ccc2C)cc1
InChIInChI=1S/C18H22N2O2S/c1-14-5-9-17(10-6-14)23(21,22)19-18-13-16(8-7-15(18)2)20-11-3-4-12-20/h5-10,13,19H,3-4,11-12H2,1-2H3
InChIKeyBDSSAFNAPAYHKP-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.70
Rot. Bonds4

About 4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide

4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide (PubChem CID 110361741) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
PubChem CID110361741
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(N3CCCC3)ccc2C)cc1
InChIInChI=1S/C18H22N2O2S/c1-14-5-9-17(10-6-14)23(21,22)19-18-13-16(8-7-15(18)2)20-11-3-4-12-20/h5-10,13,19H,3-4,11-12H2,1-2H3
InChIKeyBDSSAFNAPAYHKP-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362204
4-methyl-N-(2-methyl-5-pyrrol-1-ylphenyl)benzenesulfonamide
CID 46242018
N-(2-methyl-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362516
N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzenesulfonamide
CID 110362056
N-[5-(azepan-1-yl)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide
CID 13062385
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130
N-[4-(azepan-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 112985765
N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168513402
4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide
CID 16891081
2-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-5-methylbenzenesulfonamide
CID 110362064
4-acetyl-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 110361895

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide (CID 110361741) is 4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(N3CCCC3)ccc2C)cc1.
What is the InChIKey of 4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide?
The InChIKey is BDSSAFNAPAYHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-14-5-9-17(10-6-14)23(21,22)19-18-13-16(8-7-15(18)2)20-11-3-4-12-20/h5-10,13,19H,3-4,11-12H2,1-2H3.
What are the key properties of 4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide?
4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide has a molecular weight of 330.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 110361741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).