5-chloro-1-methyl-N-(thiatriazol-5-yl)imidazole-4-sulfonamide

C5H5ClN6O2S2 — CID 114912153

IUPAC5-chloro-1-methyl-N-(thiatriazol-5-yl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2nnns2)c1Cl
InChIInChI=1S/C5H5ClN6O2S2/c1-12-2-7-4(3(12)6)16(13,14)9-5-8-10-11-15-5/h2H,1H3,(H,8,9,11)
InChIKeyIWHICDDSDFUGCH-UHFFFAOYSA-N
MW280.72 g/mol
LogP0.12
Rot. Bonds3

About 5-chloro-1-methyl-N-(thiatriazol-5-yl)imidazole-4-sulfonamide

5-chloro-1-methyl-N-(thiatriazol-5-yl)imidazole-4-sulfonamide (PubChem CID 114912153) has the molecular formula C5H5ClN6O2S2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(thiatriazol-5-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(thiatriazol-5-yl)imidazole-4-sulfonamide
PubChem CID114912153
Molecular FormulaC5H5ClN6O2S2
Molecular Weight280.72 g/mol
Exact Mass279.96
IUPAC Name5-chloro-1-methyl-N-(thiatriazol-5-yl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2nnns2)c1Cl
InChIInChI=1S/C5H5ClN6O2S2/c1-12-2-7-4(3(12)6)16(13,14)9-5-8-10-11-15-5/h2H,1H3,(H,8,9,11)
InChIKeyIWHICDDSDFUGCH-UHFFFAOYSA-N
XLogP0.12
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide
CID 43415316
5-chloro-1-methyl-N-pyridin-4-ylimidazole-4-sulfonamide
CID 43455993
5-chloro-N-(3,5-difluorophenyl)-1-methylimidazole-4-sulfonamide
CID 43415229
5-chloro-N-(6-chloropyrimidin-4-yl)-1-methylimidazole-4-sulfonamide
CID 114049410
5-chloro-1-methyl-N-pyrazin-2-ylimidazole-4-sulfonamide
CID 43616156
5-chloro-N-(2-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 43415160
5-chloro-N-(2,3-dichlorophenyl)-1-methylimidazole-4-sulfonamide
CID 43456018
5-chloro-1-methyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
CID 43415186
5-chloro-N-(4-ethylsulfonylphenyl)-1-methylimidazole-4-sulfonamide
CID 134006747
3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide
CID 60747411
5-chloro-1-methyl-N-(4-nitrophenyl)imidazole-4-sulfonamide
CID 43456020
5-chloro-1-methyl-N-naphthalen-2-ylimidazole-4-sulfonamide
CID 60747502

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-(thiatriazol-5-yl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(thiatriazol-5-yl)imidazole-4-sulfonamide (CID 114912153) is 5-chloro-1-methyl-N-(thiatriazol-5-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(thiatriazol-5-yl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(thiatriazol-5-yl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2nnns2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(thiatriazol-5-yl)imidazole-4-sulfonamide?
The InChIKey is IWHICDDSDFUGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN6O2S2/c1-12-2-7-4(3(12)6)16(13,14)9-5-8-10-11-15-5/h2H,1H3,(H,8,9,11).
What are the key properties of 5-chloro-1-methyl-N-(thiatriazol-5-yl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(thiatriazol-5-yl)imidazole-4-sulfonamide has a molecular weight of 280.72 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-(thiatriazol-5-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 114912153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).