N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide

C13H13N3O2S2 — CID 63563330

IUPACN-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2nc3ccccc3[nH]2)c(C)s1
InChIInChI=1S/C13H13N3O2S2/c1-8-7-12(9(2)19-8)20(17,18)16-13-14-10-5-3-4-6-11(10)15-13/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyLFVFDIVZBCDYKH-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.04
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide

N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 63563330) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide
PubChem CID63563330
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC NameN-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2nc3ccccc3[nH]2)c(C)s1
InChIInChI=1S/C13H13N3O2S2/c1-8-7-12(9(2)19-8)20(17,18)16-13-14-10-5-3-4-6-11(10)15-13/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyLFVFDIVZBCDYKH-UHFFFAOYSA-N
XLogP3.04
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-bromo-4-methylbenzenesulfonamide
CID 63563135
N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 35593263
N-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide
CID 63563133
1H-benzimidazol-2-ylsulfamic acid
CID 59847917
N-(1H-benzimidazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide
CID 63563544
N-(1H-benzimidazol-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 63563710
N-(1H-benzimidazol-2-yl)-3-bromobenzenesulfonamide
CID 63563136
N-(1H-benzimidazol-2-yl)-3,4-dimethoxybenzenesulfonamide
CID 39854064
N-(1H-benzimidazol-2-yl)-4-bromo-2,5-dichlorothiophene-3-sulfonamide
CID 3758195
N-(1H-benzimidazol-2-yl)propane-1-sulfonamide
CID 63564270
3-N-(1H-benzimidazol-2-yl)-4-chloro-1-N,1-N-diethylbenzene-1,3-disulfonamide
CID 75433916
2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-sulfonamide
CID 63564707

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide (CID 63563330) is N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2nc3ccccc3[nH]2)c(C)s1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is LFVFDIVZBCDYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c1-8-7-12(9(2)19-8)20(17,18)16-13-14-10-5-3-4-6-11(10)15-13/h3-7H,1-2H3,(H2,14,15,16).
What are the key properties of N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide?
N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 307.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 63563330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).