N-(6-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide

C17H19N3O3S — CID 119055428

IUPACN-(6-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C17H19N3O3S/c1-13-5-4-6-16(18-13)19-24(22,23)15-9-7-14(8-10-15)17(21)20-11-2-3-12-20/h4-10H,2-3,11-12H2,1H3,(H,18,19)
InChIKeySTQJWZWHJUOVID-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.43
Rot. Bonds4

About N-(6-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide

N-(6-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 119055428) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID119055428
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(6-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C17H19N3O3S/c1-13-5-4-6-16(18-13)19-24(22,23)15-9-7-14(8-10-15)17(21)20-11-2-3-12-20/h4-10H,2-3,11-12H2,1H3,(H,18,19)
InChIKeySTQJWZWHJUOVID-UHFFFAOYSA-N
XLogP2.43
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 46226045
N-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 18108586
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059175
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
4-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 3857714
N-pyridin-3-yl-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 119055344
2-hydroxy-5-[(6-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 29285613
N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059185
4-acetyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 43069430
4-[(6-methyl-2-pyridinyl)sulfamoyl]-1,4-diazepane-1-carboxylic acid
CID 91176008
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109058905
4-(pyrrolidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 109059218

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 119055428) is N-(6-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is STQJWZWHJUOVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-13-5-4-6-16(18-13)19-24(22,23)15-9-7-14(8-10-15)17(21)20-11-2-3-12-20/h4-10H,2-3,11-12H2,1H3,(H,18,19).
What are the key properties of N-(6-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
N-(6-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 119055428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).