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

C21H26N2O3S — CID 41368483

IUPAC4-methyl-N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC[C@H](C)C3)c2C)cc1
InChIInChI=1S/C21H26N2O3S/c1-15-9-11-18(12-10-15)27(25,26)22-20-8-4-7-19(17(20)3)21(24)23-13-5-6-16(2)14-23/h4,7-12,16,22H,5-6,13-14H2,1-3H3/t16-/m0/s1
InChIKeyZVXWROOZTJKNSM-INIZCTEOSA-N
MW386.52 g/mol
LogP3.98
Rot. Bonds4

About 4-methyl-N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide

4-methyl-N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide (PubChem CID 41368483) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-methyl-N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
PubChem CID41368483
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name4-methyl-N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC[C@H](C)C3)c2C)cc1
InChIInChI=1S/C21H26N2O3S/c1-15-9-11-18(12-10-15)27(25,26)22-20-8-4-7-19(17(20)3)21(24)23-13-5-6-16(2)14-23/h4,7-12,16,22H,5-6,13-14H2,1-3H3/t16-/m0/s1
InChIKeyZVXWROOZTJKNSM-INIZCTEOSA-N
XLogP3.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 41368481
N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109061527
(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78783803
N-[2-(4-aminopiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 119375343
N-cyclopentyl-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062446
N-(2-methoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 24816556
2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 62946764
2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 3976213
4-methyl-N-[6-methyl-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide
CID 95100121
3,4-dichloro-N-[2-(3-methylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 86878824
4-methyl-N-[[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 52507385
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
CID 2336837

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide (CID 41368483) is 4-methyl-N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC[C@H](C)C3)c2C)cc1.
What is the InChIKey of 4-methyl-N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide?
The InChIKey is ZVXWROOZTJKNSM-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-15-9-11-18(12-10-15)27(25,26)22-20-8-4-7-19(17(20)3)21(24)23-13-5-6-16(2)14-23/h4,7-12,16,22H,5-6,13-14H2,1-3H3/t16-/m0/s1.
What are the key properties of 4-methyl-N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide?
4-methyl-N-[2-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.98, 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-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 41368483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).