N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide

C20H24N2O3S — CID 41368481

IUPACN-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C20H24N2O3S/c1-15-8-7-13-22(14-15)20(23)18-11-6-12-19(16(18)2)21-26(24,25)17-9-4-3-5-10-17/h3-6,9-12,15,21H,7-8,13-14H2,1-2H3/t15-/m0/s1
InChIKeyCRZQZWJHVKPHCW-HNNXBMFYSA-N
MW372.49 g/mol
LogP3.67
Rot. Bonds4

About N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide

N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide (PubChem CID 41368481) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
PubChem CID41368481
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C20H24N2O3S/c1-15-8-7-13-22(14-15)20(23)18-11-6-12-19(16(18)2)21-26(24,25)17-9-4-3-5-10-17/h3-6,9-12,15,21H,7-8,13-14H2,1-2H3/t15-/m0/s1
InChIKeyCRZQZWJHVKPHCW-HNNXBMFYSA-N
XLogP3.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 41368483
N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 99956462
(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78783803
2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 62946764
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]benzenesulfonamide
CID 31812524
3-(3-methylpiperidine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 109065600
N-(2-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 24816556
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
3,4-dichloro-N-[2-(3-methylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 86878824
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
(3-methylpiperidin-1-yl)-(2-phenylphenyl)methanone
CID 145074251

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide (CID 41368481) is N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide is Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)N1CCC[C@H](C)C1.
What is the InChIKey of N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide?
The InChIKey is CRZQZWJHVKPHCW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15-8-7-13-22(14-15)20(23)18-11-6-12-19(16(18)2)21-26(24,25)17-9-4-3-5-10-17/h3-6,9-12,15,21H,7-8,13-14H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide?
N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 41368481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).