5-chloro-1-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide

C14H13ClN4O2S2 — CID 55589335

IUPAC5-chloro-1-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
SMILESCc1nc(-c2ccc(NS(=O)(=O)c3ncn(C)c3Cl)cc2)cs1
InChIInChI=1S/C14H13ClN4O2S2/c1-9-17-12(7-22-9)10-3-5-11(6-4-10)18-23(20,21)14-13(15)19(2)8-16-14/h3-8,18H,1-2H3
InChIKeyGCHHILAHSKNQJL-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.31
Rot. Bonds4

About 5-chloro-1-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide

5-chloro-1-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide (PubChem CID 55589335) has the molecular formula C14H13ClN4O2S2 and a molecular weight of 368.87 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
PubChem CID55589335
Molecular FormulaC14H13ClN4O2S2
Molecular Weight368.87 g/mol
Exact Mass368.02
IUPAC Name5-chloro-1-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
SMILESCc1nc(-c2ccc(NS(=O)(=O)c3ncn(C)c3Cl)cc2)cs1
InChIInChI=1S/C14H13ClN4O2S2/c1-9-17-12(7-22-9)10-3-5-11(6-4-10)18-23(20,21)14-13(15)19(2)8-16-14/h3-8,18H,1-2H3
InChIKeyGCHHILAHSKNQJL-UHFFFAOYSA-N
XLogP3.31
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide
CID 134006747
5-chloro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thiophene-2-sulfonamide
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5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide
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2-methyl-4-[4-(sulfamoylamino)phenyl]-1,3-thiazole
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5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
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5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide
CID 43456020
5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide
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5-chloro-1-methyl-N-(4-phenoxyphenyl)imidazole-4-sulfonamide
CID 46594182
5-chloro-N-[6-(dimethylamino)-3-pyridinyl]-1-methylimidazole-4-sulfonamide
CID 61051800
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286657
5-chloro-N-(3,5-difluorophenyl)-1-methylimidazole-4-sulfonamide
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N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butane-1-sulfonamide
CID 108780480

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide (CID 55589335) is 5-chloro-1-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide is Cc1nc(-c2ccc(NS(=O)(=O)c3ncn(C)c3Cl)cc2)cs1.
What is the InChIKey of 5-chloro-1-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide?
The InChIKey is GCHHILAHSKNQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2S2/c1-9-17-12(7-22-9)10-3-5-11(6-4-10)18-23(20,21)14-13(15)19(2)8-16-14/h3-8,18H,1-2H3.
What are the key properties of 5-chloro-1-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide?
5-chloro-1-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide has a molecular weight of 368.87 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide is sourced from PubChem (CID 55589335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).