N-[1-(4-chlorophenyl)imidazol-2-yl]-4-methylbenzenesulfonamide

C16H14ClN3O2S — CID 10521634

IUPACN-[1-(4-chlorophenyl)imidazol-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nccn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClN3O2S/c1-12-2-8-15(9-3-12)23(21,22)19-16-18-10-11-20(16)14-6-4-13(17)5-7-14/h2-11H,1H3,(H,18,19)
InChIKeyMUYPDOCMVNVRLT-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.63
Rot. Bonds4

About N-[1-(4-chlorophenyl)imidazol-2-yl]-4-methylbenzenesulfonamide

N-[1-(4-chlorophenyl)imidazol-2-yl]-4-methylbenzenesulfonamide (PubChem CID 10521634) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)imidazol-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)imidazol-2-yl]-4-methylbenzenesulfonamide
PubChem CID10521634
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC NameN-[1-(4-chlorophenyl)imidazol-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nccn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClN3O2S/c1-12-2-8-15(9-3-12)23(21,22)19-16-18-10-11-20(16)14-6-4-13(17)5-7-14/h2-11H,1H3,(H,18,19)
InChIKeyMUYPDOCMVNVRLT-UHFFFAOYSA-N
XLogP3.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(1-phenylimidazol-2-yl)benzenesulfonamide
CID 10519258
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
1-(4-chlorophenyl)-2-methylsulfonylimidazole
CID 82132275
4-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 759580
N-[4-(2-methylimidazol-1-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 35764194
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methylbenzenesulfonamide
CID 169371169
N-[2-[(4-chlorophenyl)sulfonylamino]-4-methylphenyl]-4-methylbenzenesulfonamide
CID 2796859
4-tert-butyl-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 35764196
4-chloro-N-[6-chloro-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide
CID 19735305
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 6465342

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)imidazol-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)imidazol-2-yl]-4-methylbenzenesulfonamide (CID 10521634) is N-[1-(4-chlorophenyl)imidazol-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)imidazol-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)imidazol-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nccn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)imidazol-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is MUYPDOCMVNVRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-12-2-8-15(9-3-12)23(21,22)19-16-18-10-11-20(16)14-6-4-13(17)5-7-14/h2-11H,1H3,(H,18,19).
What are the key properties of N-[1-(4-chlorophenyl)imidazol-2-yl]-4-methylbenzenesulfonamide?
N-[1-(4-chlorophenyl)imidazol-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 347.83 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)imidazol-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 10521634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).