4-chloro-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide

C17H17ClN4O2S — CID 55906894

IUPAC4-chloro-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCc1ccnc(-n2ccnc2C)c1
InChIInChI=1S/C17H17ClN4O2S/c1-12-9-15(18)3-4-16(12)25(23,24)21-11-14-5-6-20-17(10-14)22-8-7-19-13(22)2/h3-10,21H,11H2,1-2H3
InChIKeyGBALKCMSMGRGSP-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.02
Rot. Bonds5

About 4-chloro-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide

4-chloro-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide (PubChem CID 55906894) has the molecular formula C17H17ClN4O2S and a molecular weight of 376.87 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
PubChem CID55906894
Molecular FormulaC17H17ClN4O2S
Molecular Weight376.87 g/mol
Exact Mass376.08
IUPAC Name4-chloro-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)NCc1ccnc(-n2ccnc2C)c1
InChIInChI=1S/C17H17ClN4O2S/c1-12-9-15(18)3-4-16(12)25(23,24)21-11-14-5-6-20-17(10-14)22-8-7-19-13(22)2/h3-10,21H,11H2,1-2H3
InChIKeyGBALKCMSMGRGSP-UHFFFAOYSA-N
XLogP3.02
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide (CID 55906894) is 4-chloro-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)NCc1ccnc(-n2ccnc2C)c1.
What is the InChIKey of 4-chloro-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is GBALKCMSMGRGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S/c1-12-9-15(18)3-4-16(12)25(23,24)21-11-14-5-6-20-17(10-14)22-8-7-19-13(22)2/h3-10,21H,11H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide?
4-chloro-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 376.87 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 55906894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).