3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide

C10H13FN4O2S — CID 103294870

IUPAC3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C10H13FN4O2S/c11-7-2-3-8-9(6-7)15-10(14-8)13-4-1-5-18(12,16)17/h2-3,6H,1,4-5H2,(H2,12,16,17)(H2,13,14,15)
InChIKeyIXYQRMXBCFQZTJ-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.79
Rot. Bonds5

About 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide

3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide (PubChem CID 103294870) has the molecular formula C10H13FN4O2S and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide
PubChem CID103294870
Molecular FormulaC10H13FN4O2S
Molecular Weight272.30 g/mol
Exact Mass272.07
IUPAC Name3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C10H13FN4O2S/c11-7-2-3-8-9(6-7)15-10(14-8)13-4-1-5-18(12,16)17/h2-3,6H,1,4-5H2,(H2,12,16,17)(H2,13,14,15)
InChIKeyIXYQRMXBCFQZTJ-UHFFFAOYSA-N
XLogP0.79
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine
CID 103294952
N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295166
6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine
CID 103295135
N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103294786
N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103294770
N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide
CID 103295026
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide
CID 103294871
1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
CID 103295277
6-bromo-N-[2-(4-fluorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 82563510
6-fluoro-N-(2-prop-2-enylsulfanylethyl)-1H-benzimidazol-2-amine
CID 106430091

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide (CID 103294870) is 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide is NS(=O)(=O)CCCNc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide?
The InChIKey is IXYQRMXBCFQZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O2S/c11-7-2-3-8-9(6-7)15-10(14-8)13-4-1-5-18(12,16)17/h2-3,6H,1,4-5H2,(H2,12,16,17)(H2,13,14,15).
What are the key properties of 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide?
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide has a molecular weight of 272.30 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide is sourced from PubChem (CID 103294870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).