N-(4-chloro-2-methylphenyl)-1,2-dimethylimidazole-4-sulfonamide

C12H14ClN3O2S — CID 53008171

IUPACN-(4-chloro-2-methylphenyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C12H14ClN3O2S/c1-8-6-10(13)4-5-11(8)15-19(17,18)12-7-16(3)9(2)14-12/h4-7,15H,1-3H3
InChIKeySPAXKTTYTQPEAD-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.49
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-1,2-dimethylimidazole-4-sulfonamide

N-(4-chloro-2-methylphenyl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 53008171) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID53008171
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC NameN-(4-chloro-2-methylphenyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1cc(Cl)ccc1NS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C12H14ClN3O2S/c1-8-6-10(13)4-5-11(8)15-19(17,18)12-7-16(3)9(2)14-12/h4-7,15H,1-3H3
InChIKeySPAXKTTYTQPEAD-UHFFFAOYSA-N
XLogP2.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 64788920
N-(4-hydroxy-2,5-dimethylphenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 106831909
N,1,2-trimethylimidazole-4-sulfonamide
CID 23573311
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-4-fluorobenzoic acid
CID 51099437
N-[2-(1-chloroethyl)phenyl]-1,2-dimethylimidazole-4-sulfonamide
CID 65031566
N-(2-amino-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 62062819
N-(2-bromo-4-chlorophenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 81273250
1,2-dimethyl-N-(4-methylphenyl)imidazole-4-sulfonamide
CID 53008183
N-(5-chloro-1H-pyrazol-3-yl)-1,2-dimethylimidazole-4-sulfonamide
CID 167876017
N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822446
N-(5-bromo-2-methoxyphenyl)-1,2-dimethylimidazole-4-sulfonamide
CID 62061591
N-(4-bromo-2-pyridinyl)-1,2-dimethylimidazole-4-sulfonamide
CID 102671829

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1,2-dimethylimidazole-4-sulfonamide (CID 53008171) is N-(4-chloro-2-methylphenyl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1,2-dimethylimidazole-4-sulfonamide is Cc1cc(Cl)ccc1NS(=O)(=O)c1cn(C)c(C)n1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is SPAXKTTYTQPEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-8-6-10(13)4-5-11(8)15-19(17,18)12-7-16(3)9(2)14-12/h4-7,15H,1-3H3.
What are the key properties of N-(4-chloro-2-methylphenyl)-1,2-dimethylimidazole-4-sulfonamide?
N-(4-chloro-2-methylphenyl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 299.78 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 53008171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).