5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide

C8H8ClN3O2S2 — CID 64529732

IUPAC5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ncc[nH]1)c1ccc(Cl)s1
InChIInChI=1S/C8H8ClN3O2S2/c9-6-1-2-8(15-6)16(13,14)12-5-7-10-3-4-11-7/h1-4,12H,5H2,(H,10,11)
InChIKeyGHVFEXIICUOUIP-UHFFFAOYSA-N
MW277.76 g/mol
LogP1.60
Rot. Bonds4

About 5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide

5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 64529732) has the molecular formula C8H8ClN3O2S2 and a molecular weight of 277.76 g/mol. Its IUPAC name is 5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID64529732
Molecular FormulaC8H8ClN3O2S2
Molecular Weight277.76 g/mol
Exact Mass276.97
IUPAC Name5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ncc[nH]1)c1ccc(Cl)s1
InChIInChI=1S/C8H8ClN3O2S2/c9-6-1-2-8(15-6)16(13,14)12-5-7-10-3-4-11-7/h1-4,12H,5H2,(H,10,11)
InChIKeyGHVFEXIICUOUIP-UHFFFAOYSA-N
XLogP1.60
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide
CID 114135147
2-[5-(1H-imidazol-2-ylmethylsulfamoyl)thiophen-2-yl]acetic acid
CID 64548410
3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64532116
N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
CID 64531136
5-chloro-N-(1,3-thiazol-4-ylmethyl)thiophene-2-sulfonamide
CID 110717389
4-amino-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64518015
1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
CID 110725753
5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
CID 64606709
5-chloro-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 19683573
5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 113317167
5-chloro-N-(imidazo[2,1-b][1,3]thiazol-3-ylmethyl)thiophene-2-sulfonamide
CID 110872204
2-chloro-4-(1H-imidazol-2-ylmethylsulfamoyl)benzoic acid
CID 107090121

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide (CID 64529732) is 5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(NCc1ncc[nH]1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is GHVFEXIICUOUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2S2/c9-6-1-2-8(15-6)16(13,14)12-5-7-10-3-4-11-7/h1-4,12H,5H2,(H,10,11).
What are the key properties of 5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide?
5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 277.76 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 64529732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).