5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-sulfonamide

C13H14N4O3S — CID 79013694

IUPAC5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNCc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C13H14N4O3S/c14-21(18,19)13-6-5-9(20-13)7-15-8-12-16-10-3-1-2-4-11(10)17-12/h1-6,15H,7-8H2,(H,16,17)(H2,14,18,19)
InChIKeyHSTLYGBSSNASHQ-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.09
Rot. Bonds5

About 5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-sulfonamide

5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-sulfonamide (PubChem CID 79013694) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-sulfonamide
PubChem CID79013694
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNCc2nc3ccccc3[nH]2)o1
InChIInChI=1S/C13H14N4O3S/c14-21(18,19)13-6-5-9(20-13)7-15-8-12-16-10-3-1-2-4-11(10)17-12/h1-6,15H,7-8H2,(H,16,17)(H2,14,18,19)
InChIKeyHSTLYGBSSNASHQ-UHFFFAOYSA-N
XLogP1.09
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-yl]methanol
CID 78996710
N-(1H-benzimidazol-2-ylmethyl)-1-(5-bromofuran-2-yl)methanamine
CID 78911310
5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-carboxylic acid
CID 78929695
N-(1H-benzimidazol-2-ylmethyl)-1-[5-(methylsulfanylmethyl)furan-2-yl]methanamine
CID 78991552
N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
CID 15365342
N-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine
CID 78911270
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401
2-(1H-benzimidazol-2-ylmethylamino)acetic acid
CID 1081236
N-(1H-benzimidazol-2-ylmethyl)-1-(4-chlorothiophen-2-yl)methanamine
CID 79427479
N-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine
CID 78911282
4-[(1H-benzimidazol-2-ylmethylamino)methyl]benzene-1,2-diol
CID 78911241
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407

Frequently Asked Questions

What is the IUPAC name of 5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-sulfonamide?
The IUPAC name of 5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-sulfonamide (CID 79013694) is 5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-sulfonamide.
What is the SMILES notation for 5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-sulfonamide?
The canonical SMILES for 5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-sulfonamide is NS(=O)(=O)c1ccc(CNCc2nc3ccccc3[nH]2)o1.
What is the InChIKey of 5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-sulfonamide?
The InChIKey is HSTLYGBSSNASHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c14-21(18,19)13-6-5-9(20-13)7-15-8-12-16-10-3-1-2-4-11(10)17-12/h1-6,15H,7-8H2,(H,16,17)(H2,14,18,19).
What are the key properties of 5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-sulfonamide?
5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-sulfonamide has a molecular weight of 306.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-sulfonamide is sourced from PubChem (CID 79013694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).