5-cyclopropyl-N-(6-fluoro-1H-benzimidazol-2-yl)thiophene-2-sulfonamide

C14H12FN3O2S2 — CID 155969203

IUPAC5-cyclopropyl-N-(6-fluoro-1H-benzimidazol-2-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccc(F)cc2[nH]1)c1ccc(C2CC2)s1
InChIInChI=1S/C14H12FN3O2S2/c15-9-3-4-10-11(7-9)17-14(16-10)18-22(19,20)13-6-5-12(21-13)8-1-2-8/h3-8H,1-2H2,(H2,16,17,18)
InChIKeyJKPOIJMAYHEPOK-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.44
Rot. Bonds4

About 5-cyclopropyl-N-(6-fluoro-1H-benzimidazol-2-yl)thiophene-2-sulfonamide

5-cyclopropyl-N-(6-fluoro-1H-benzimidazol-2-yl)thiophene-2-sulfonamide (PubChem CID 155969203) has the molecular formula C14H12FN3O2S2 and a molecular weight of 337.40 g/mol. Its IUPAC name is 5-cyclopropyl-N-(6-fluoro-1H-benzimidazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(6-fluoro-1H-benzimidazol-2-yl)thiophene-2-sulfonamide
PubChem CID155969203
Molecular FormulaC14H12FN3O2S2
Molecular Weight337.40 g/mol
Exact Mass337.04
IUPAC Name5-cyclopropyl-N-(6-fluoro-1H-benzimidazol-2-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccc(F)cc2[nH]1)c1ccc(C2CC2)s1
InChIInChI=1S/C14H12FN3O2S2/c15-9-3-4-10-11(7-9)17-14(16-10)18-22(19,20)13-6-5-12(21-13)8-1-2-8/h3-8H,1-2H2,(H2,16,17,18)
InChIKeyJKPOIJMAYHEPOK-UHFFFAOYSA-N
XLogP3.44
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine
CID 103295044
N-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide
CID 63563133
N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295166
N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide
CID 103295026
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide
CID 103294870
1-N-(6-fluoro-1H-benzimidazol-2-yl)cyclobutane-1,3-diamine
CID 103295199
6-fluoro-N-(2-propan-2-ylcyclohexyl)-1H-benzimidazol-2-amine
CID 103295064
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-3H-benzimidazol-5-yl]benzamide
CID 10113684
N-[1-(aminomethyl)-2-methylcyclohexyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103295344
3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551613
1-cyclobutyl-N-(6-fluoro-1H-benzimidazol-2-yl)pyrazole-4-carboxamide
CID 154789264
2-(trifluoromethoxy)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenesulfonamide
CID 75396723

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(6-fluoro-1H-benzimidazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyclopropyl-N-(6-fluoro-1H-benzimidazol-2-yl)thiophene-2-sulfonamide (CID 155969203) is 5-cyclopropyl-N-(6-fluoro-1H-benzimidazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyclopropyl-N-(6-fluoro-1H-benzimidazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyclopropyl-N-(6-fluoro-1H-benzimidazol-2-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1nc2ccc(F)cc2[nH]1)c1ccc(C2CC2)s1.
What is the InChIKey of 5-cyclopropyl-N-(6-fluoro-1H-benzimidazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is JKPOIJMAYHEPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S2/c15-9-3-4-10-11(7-9)17-14(16-10)18-22(19,20)13-6-5-12(21-13)8-1-2-8/h3-8H,1-2H2,(H2,16,17,18).
What are the key properties of 5-cyclopropyl-N-(6-fluoro-1H-benzimidazol-2-yl)thiophene-2-sulfonamide?
5-cyclopropyl-N-(6-fluoro-1H-benzimidazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 337.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(6-fluoro-1H-benzimidazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 155969203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).