N,N-dimethyl-2-thiophen-3-yl-3H-benzimidazole-5-sulfonamide

C13H13N3O2S2 — CID 47052816

IUPACN,N-dimethyl-2-thiophen-3-yl-3H-benzimidazole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2nc(-c3ccsc3)[nH]c2c1
InChIInChI=1S/C13H13N3O2S2/c1-16(2)20(17,18)10-3-4-11-12(7-10)15-13(14-11)9-5-6-19-8-9/h3-8H,1-2H3,(H,14,15)
InChIKeyQUAMJGMEXNRBSI-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.54
Rot. Bonds3

About N,N-dimethyl-2-thiophen-3-yl-3H-benzimidazole-5-sulfonamide

N,N-dimethyl-2-thiophen-3-yl-3H-benzimidazole-5-sulfonamide (PubChem CID 47052816) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N,N-dimethyl-2-thiophen-3-yl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-thiophen-3-yl-3H-benzimidazole-5-sulfonamide
PubChem CID47052816
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC NameN,N-dimethyl-2-thiophen-3-yl-3H-benzimidazole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2nc(-c3ccsc3)[nH]c2c1
InChIInChI=1S/C13H13N3O2S2/c1-16(2)20(17,18)10-3-4-11-12(7-10)15-13(14-11)9-5-6-19-8-9/h3-8H,1-2H3,(H,14,15)
InChIKeyQUAMJGMEXNRBSI-UHFFFAOYSA-N
XLogP2.54
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-thiophen-3-yl-3H-benzimidazol-5-amine
CID 24692071
2-[[6-(dimethylsulfamoyl)-1H-benzimidazol-2-yl]methoxymethyl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 45259137
2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide
CID 15995775
2-[4-(2-fluorophenyl)cyclohexa-1,3-dien-1-yl]-N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 70962446
N-(2-methoxyethyl)-N-methyl-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 23936708
2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 101498548
4-(6-methylsulfonyl-1H-benzimidazol-2-yl)benzonitrile
CID 62069305
N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 68763718
2-(1-but-3-enyltriazol-4-yl)-N,N-dimethyl-3H-benzimidazole-5-sulfonamide
CID 167982093
2-(3,4-dichlorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62067790
N-(2-fluorophenyl)-2-[6-[2-fluoro-3-[(2-thiophen-3-yl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]pyrazin-2-yl]-3H-benzimidazole-5-sulfonamide
CID 123389283
N,N-bis(2-cyanoethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 3728615

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-thiophen-3-yl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N,N-dimethyl-2-thiophen-3-yl-3H-benzimidazole-5-sulfonamide (CID 47052816) is N,N-dimethyl-2-thiophen-3-yl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2-thiophen-3-yl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-2-thiophen-3-yl-3H-benzimidazole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2nc(-c3ccsc3)[nH]c2c1.
What is the InChIKey of N,N-dimethyl-2-thiophen-3-yl-3H-benzimidazole-5-sulfonamide?
The InChIKey is QUAMJGMEXNRBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c1-16(2)20(17,18)10-3-4-11-12(7-10)15-13(14-11)9-5-6-19-8-9/h3-8H,1-2H3,(H,14,15).
What are the key properties of N,N-dimethyl-2-thiophen-3-yl-3H-benzimidazole-5-sulfonamide?
N,N-dimethyl-2-thiophen-3-yl-3H-benzimidazole-5-sulfonamide has a molecular weight of 307.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-thiophen-3-yl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 47052816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).