5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide

C12H14ClN3O4S2 — CID 134006747

IUPAC5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide
SMILESCCS(=O)(=O)c1ccc(NS(=O)(=O)c2ncn(C)c2Cl)cc1
InChIInChI=1S/C12H14ClN3O4S2/c1-3-21(17,18)10-6-4-9(5-7-10)15-22(19,20)12-11(13)16(2)8-14-12/h4-8,15H,3H2,1-2H3
InChIKeyUMTASTLNRYHJMO-UHFFFAOYSA-N
MW363.85 g/mol
LogP1.67
Rot. Bonds5

About 5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide

5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 134006747) has the molecular formula C12H14ClN3O4S2 and a molecular weight of 363.85 g/mol. Its IUPAC name is 5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide
PubChem CID134006747
Molecular FormulaC12H14ClN3O4S2
Molecular Weight363.85 g/mol
Exact Mass363.01
IUPAC Name5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide
SMILESCCS(=O)(=O)c1ccc(NS(=O)(=O)c2ncn(C)c2Cl)cc1
InChIInChI=1S/C12H14ClN3O4S2/c1-3-21(17,18)10-6-4-9(5-7-10)15-22(19,20)12-11(13)16(2)8-14-12/h4-8,15H,3H2,1-2H3
InChIKeyUMTASTLNRYHJMO-UHFFFAOYSA-N
XLogP1.67
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide
CID 43455993
5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide
CID 43456020
5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
CID 43415186
5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide
CID 46594182
5-chloro-1-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
CID 55589335
5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide
CID 60747502
5-chloro-N-[6-(dimethylamino)-3-pyridinyl]-1-methylimidazole-4-sulfonamide
CID 61051800
5-chloro-N-(3,5-difluorophenyl)-1-methylimidazole-4-sulfonamide
CID 43415229
5-chloro-N-(2,3-dichlorophenyl)-1-methylimidazole-4-sulfonamide
CID 43456018
methyl 2-chloro-5-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzoate
CID 134007714
5-chloro-1-methyl-N-(3-propan-2-ylphenyl)imidazole-4-sulfonamide
CID 43415224
3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide
CID 60747411

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide (CID 134006747) is 5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide is CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ncn(C)c2Cl)cc1.
What is the InChIKey of 5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is UMTASTLNRYHJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O4S2/c1-3-21(17,18)10-6-4-9(5-7-10)15-22(19,20)12-11(13)16(2)8-14-12/h4-8,15H,3H2,1-2H3.
What are the key properties of 5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide?
5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 363.85 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 134006747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).