4-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)benzenesulfonamide

C12H16N2O2S — CID 132523995

IUPAC4-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NCCCC2)cc1
InChIInChI=1S/C12H16N2O2S/c1-10-5-7-11(8-6-10)17(15,16)14-12-4-2-3-9-13-12/h5-8H,2-4,9H2,1H3,(H,13,14)
InChIKeyCHUFYNNHAVGRDE-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.86
Rot. Bonds2

About 4-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)benzenesulfonamide

4-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)benzenesulfonamide (PubChem CID 132523995) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)benzenesulfonamide
PubChem CID132523995
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name4-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NCCCC2)cc1
InChIInChI=1S/C12H16N2O2S/c1-10-5-7-11(8-6-10)17(15,16)14-12-4-2-3-9-13-12/h5-8H,2-4,9H2,1H3,(H,13,14)
InChIKeyCHUFYNNHAVGRDE-UHFFFAOYSA-N
XLogP1.86
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide
CID 3899892
N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methoxybenzenesulfonamide
CID 125493248
CID 89209993
CID 89209993
N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide
CID 9343822
trans-(1S,2S)-2-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 9343886
1-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 9426498
N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 2324236
ethyl 4-oxo-4-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]butanoate
CID 9089335
2-[methyl(methylsulfonyl)amino]-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
CID 55605712
2-[(4-methylphenyl)methylamino]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
CID 4597074
4-propan-2-yl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 9343848
4-acetyl-3,5-dimethyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-1H-pyrrole-2-carboxamide
CID 2125108

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)benzenesulfonamide (CID 132523995) is 4-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2=NCCCC2)cc1.
What is the InChIKey of 4-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)benzenesulfonamide?
The InChIKey is CHUFYNNHAVGRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-10-5-7-11(8-6-10)17(15,16)14-12-4-2-3-9-13-12/h5-8H,2-4,9H2,1H3,(H,13,14).
What are the key properties of 4-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)benzenesulfonamide?
4-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)benzenesulfonamide has a molecular weight of 252.34 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)benzenesulfonamide is sourced from PubChem (CID 132523995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).