N-(2-methyl-5-sulfamoylphenyl)piperidine-1-sulfonamide

C12H19N3O4S2 — CID 61132651

IUPACN-(2-methyl-5-sulfamoylphenyl)piperidine-1-sulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H19N3O4S2/c1-10-5-6-11(20(13,16)17)9-12(10)14-21(18,19)15-7-3-2-4-8-15/h5-6,9,14H,2-4,7-8H2,1H3,(H2,13,16,17)
InChIKeyRLWKVQAURPPVJW-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.79
Rot. Bonds4

About N-(2-methyl-5-sulfamoylphenyl)piperidine-1-sulfonamide

N-(2-methyl-5-sulfamoylphenyl)piperidine-1-sulfonamide (PubChem CID 61132651) has the molecular formula C12H19N3O4S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(2-methyl-5-sulfamoylphenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-5-sulfamoylphenyl)piperidine-1-sulfonamide
PubChem CID61132651
Molecular FormulaC12H19N3O4S2
Molecular Weight333.44 g/mol
Exact Mass333.08
IUPAC NameN-(2-methyl-5-sulfamoylphenyl)piperidine-1-sulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H19N3O4S2/c1-10-5-6-11(20(13,16)17)9-12(10)14-21(18,19)15-7-3-2-4-8-15/h5-6,9,14H,2-4,7-8H2,1H3,(H2,13,16,17)
InChIKeyRLWKVQAURPPVJW-UHFFFAOYSA-N
XLogP0.79
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-methyl-5-sulfamoylphenyl)piperidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-5-sulfamoylphenyl)piperidine-1-sulfonamide
CID 61132456
N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide
CID 43806682
3-(azepan-1-ylsulfonylamino)-4-methylbenzenecarbothioamide
CID 62105771
N-(3-amino-2,4-dimethylphenyl)piperidine-1-sulfonamide
CID 54880821
N-(4-amino-2,5-dimethylphenyl)azepane-1-sulfonamide
CID 103144757
N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
CID 107592686
N-(2-hydroxy-5-methylphenyl)pyrrolidine-1-sulfonamide
CID 54936857
3-chloro-2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 60532990
1-methyl-3-(2-methyl-5-piperidin-1-ylsulfonylphenyl)thiourea
CID 7941210
3-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-methylbenzenesulfonamide
CID 43744289
N-(5-amino-2-methylphenyl)-4-methylpiperidine-1-sulfonamide
CID 28783386
3-(cyclohexylmethylamino)-4-methylbenzenesulfonamide
CID 43744206

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-sulfamoylphenyl)piperidine-1-sulfonamide?
The IUPAC name of N-(2-methyl-5-sulfamoylphenyl)piperidine-1-sulfonamide (CID 61132651) is N-(2-methyl-5-sulfamoylphenyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(2-methyl-5-sulfamoylphenyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(2-methyl-5-sulfamoylphenyl)piperidine-1-sulfonamide is Cc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(2-methyl-5-sulfamoylphenyl)piperidine-1-sulfonamide?
The InChIKey is RLWKVQAURPPVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S2/c1-10-5-6-11(20(13,16)17)9-12(10)14-21(18,19)15-7-3-2-4-8-15/h5-6,9,14H,2-4,7-8H2,1H3,(H2,13,16,17).
What are the key properties of N-(2-methyl-5-sulfamoylphenyl)piperidine-1-sulfonamide?
N-(2-methyl-5-sulfamoylphenyl)piperidine-1-sulfonamide has a molecular weight of 333.44 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-sulfamoylphenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 61132651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).