3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

C19H24N2O4S2 — CID 71903183

IUPAC3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1C
InChIInChI=1S/C19H24N2O4S2/c1-15-9-10-18(13-16(15)2)26(22,23)20-17-7-6-8-19(14-17)27(24,25)21-11-4-3-5-12-21/h6-10,13-14,20H,3-5,11-12H2,1-2H3
InChIKeyLHHIQPIIKNFHHP-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.28
Rot. Bonds5

About 3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 71903183) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
PubChem CID71903183
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC Name3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1C
InChIInChI=1S/C19H24N2O4S2/c1-15-9-10-18(13-16(15)2)26(22,23)20-17-7-6-8-19(14-17)27(24,25)21-11-4-3-5-12-21/h6-10,13-14,20H,3-5,11-12H2,1-2H3
InChIKeyLHHIQPIIKNFHHP-UHFFFAOYSA-N
XLogP3.28
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)phenyl]benzenesulfonamide
CID 2919639
N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 7996091
3-[(3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]benzoate
CID 8015545
N-[3-(azepan-1-ylsulfonyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 4996463
N-(3-piperidin-1-ylsulfonylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31064984
3-[(4-methyl-3-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid
CID 3263059
5-(azepan-1-ylsulfonyl)-2-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 43882630
N-[4-(azepan-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 112985765
N-(3-methylsulfanylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 2696922
N-(3-piperidin-1-ylsulfonylphenyl)formamide
CID 168654481
4-[(4-methylphenyl)sulfamoyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3291501
N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 6469836

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (CID 71903183) is 3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is LHHIQPIIKNFHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-15-9-10-18(13-16(15)2)26(22,23)20-17-7-6-8-19(14-17)27(24,25)21-11-4-3-5-12-21/h6-10,13-14,20H,3-5,11-12H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 408.55 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 71903183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).