5-chloro-1-methyl-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide

C9H10ClN3O2S2 — CID 43415294

IUPAC5-chloro-1-methyl-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2cccs2)c1Cl
InChIInChI=1S/C9H10ClN3O2S2/c1-13-6-11-9(8(13)10)17(14,15)12-5-7-3-2-4-16-7/h2-4,6,12H,5H2,1H3
InChIKeyFWIWYCYUDKWWDL-UHFFFAOYSA-N
MW291.79 g/mol
LogP1.61
Rot. Bonds4

About 5-chloro-1-methyl-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide

5-chloro-1-methyl-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide (PubChem CID 43415294) has the molecular formula C9H10ClN3O2S2 and a molecular weight of 291.79 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide
PubChem CID43415294
Molecular FormulaC9H10ClN3O2S2
Molecular Weight291.79 g/mol
Exact Mass290.99
IUPAC Name5-chloro-1-methyl-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCc2cccs2)c1Cl
InChIInChI=1S/C9H10ClN3O2S2/c1-13-6-11-9(8(13)10)17(14,15)12-5-7-3-2-4-16-7/h2-4,6,12H,5H2,1H3
InChIKeyFWIWYCYUDKWWDL-UHFFFAOYSA-N
XLogP1.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-methylimidazole-4-sulfonamide
CID 97046731
5-chloro-1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide
CID 43415290
5-chloro-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide
CID 55173032
5-chloro-1-methyl-N-[2-(1,3-thiazol-2-yl)propyl]imidazole-4-sulfonamide
CID 113431393
5-chloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylimidazole-4-sulfonamide
CID 60527069
5-chloro-1-methyl-N-(2-phenyl-1-thiophen-2-ylethyl)imidazole-4-sulfonamide
CID 166209049
5-chloro-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]imidazole-4-sulfonamide
CID 62847232
N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61247762
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylimidazole-4-sulfonamide
CID 103858731
N-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61250573
5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide
CID 102697795
5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide
CID 65035723

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide (CID 43415294) is 5-chloro-1-methyl-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCc2cccs2)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide?
The InChIKey is FWIWYCYUDKWWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2S2/c1-13-6-11-9(8(13)10)17(14,15)12-5-7-3-2-4-16-7/h2-4,6,12H,5H2,1H3.
What are the key properties of 5-chloro-1-methyl-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide has a molecular weight of 291.79 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 43415294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).