4-methyl-N-(1-methylpiperidin-2-yl)benzenesulfonamide

C13H20N2O2S — CID 57066316

IUPAC4-methyl-N-(1-methylpiperidin-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCN2C)cc1
InChIInChI=1S/C13H20N2O2S/c1-11-6-8-12(9-7-11)18(16,17)14-13-5-3-4-10-15(13)2/h6-9,13-14H,3-5,10H2,1-2H3
InChIKeyUYJGWMCNSWGRLX-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.72
Rot. Bonds3

About 4-methyl-N-(1-methylpiperidin-2-yl)benzenesulfonamide

4-methyl-N-(1-methylpiperidin-2-yl)benzenesulfonamide (PubChem CID 57066316) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-methyl-N-(1-methylpiperidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-methylpiperidin-2-yl)benzenesulfonamide
PubChem CID57066316
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-methyl-N-(1-methylpiperidin-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCN2C)cc1
InChIInChI=1S/C13H20N2O2S/c1-11-6-8-12(9-7-11)18(16,17)14-13-5-3-4-10-15(13)2/h6-9,13-14H,3-5,10H2,1-2H3
InChIKeyUYJGWMCNSWGRLX-UHFFFAOYSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-methylpiperidin-2-yl)benzenesulfonamide
CID 57288290
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide
CID 85434978
4-methyl-N-[(1R,2R)-2-sulfanylcyclohexyl]benzenesulfonamide
CID 25140124
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
4-methyl-N-[(6S,11S)-5-oxospiro[5.5]undecan-11-yl]benzenesulfonamide
CID 15529692
N-[(1R)-2-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-4-methylbenzenesulfonamide
CID 155770202
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzenesulfonamide
CID 22772651
4-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]phenyl]benzenesulfonamide
CID 169372163

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylpiperidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1-methylpiperidin-2-yl)benzenesulfonamide (CID 57066316) is 4-methyl-N-(1-methylpiperidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1-methylpiperidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1-methylpiperidin-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCCN2C)cc1.
What is the InChIKey of 4-methyl-N-(1-methylpiperidin-2-yl)benzenesulfonamide?
The InChIKey is UYJGWMCNSWGRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-11-6-8-12(9-7-11)18(16,17)14-13-5-3-4-10-15(13)2/h6-9,13-14H,3-5,10H2,1-2H3.
What are the key properties of 4-methyl-N-(1-methylpiperidin-2-yl)benzenesulfonamide?
4-methyl-N-(1-methylpiperidin-2-yl)benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylpiperidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 57066316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).