4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide

C13H18N2O3S — CID 26773685

IUPAC4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C13H18N2O3S/c1-10-6-8-15(9-7-10)13(16)11-2-4-12(5-3-11)19(14,17)18/h2-5,10H,6-9H2,1H3,(H2,14,17,18)
InChIKeyRLTGDWZFYHVROL-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.21
Rot. Bonds2

About 4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide

4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 26773685) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID26773685
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C13H18N2O3S/c1-10-6-8-15(9-7-10)13(16)11-2-4-12(5-3-11)19(14,17)18/h2-5,10H,6-9H2,1H3,(H2,14,17,18)
InChIKeyRLTGDWZFYHVROL-UHFFFAOYSA-N
XLogP1.21
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4288
N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 4290
N-benzyl-4-sulfamoylbenzamide
CID 4347
N-(2,3,4,5,6-Pentaflouro-Benzyl)-4-Sulfamoyl-Benzamide
CID 445770
4-(Aminosulfonyl)-N-[(2,3,4-Trifluorophenyl)Methyl]-Benzamide
CID 446240
N-(2,3-Difluoro-benzyl)-4-sulfamoyl-benzamide
CID 1700
4-(Aminosulfonyl)-N-((4-Fluorophenyl)Methyl)-Benzamide
CID 446237
1-benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine
CID 197239
N-methyl-4-sulfamoylbenzamide
CID 4093508
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(benzylsulfonyl)-N-methylbenzamide Hydrochloride
CID 197240
Piperidine Derivative 22
CID 10029132
N-prop-2-ynyl-4-sulfamoyl-benzamide
CID 11851424

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide (CID 26773685) is 4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide is CC1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is RLTGDWZFYHVROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-10-6-8-15(9-7-10)13(16)11-2-4-12(5-3-11)19(14,17)18/h2-5,10H,6-9H2,1H3,(H2,14,17,18).
What are the key properties of 4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide?
4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 282.36 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 26773685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).