N-(3H-benzimidazol-5-yl)-5-ethylthiophene-2-sulfonamide

C13H13N3O2S2 — CID 110724387

IUPACN-(3H-benzimidazol-5-yl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc3nc[nH]c3c2)s1
InChIInChI=1S/C13H13N3O2S2/c1-2-10-4-6-13(19-10)20(17,18)16-9-3-5-11-12(7-9)15-8-14-11/h3-8,16H,2H2,1H3,(H,14,15)
InChIKeyIQTYYXXCBYJKCQ-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.99
Rot. Bonds4

About N-(3H-benzimidazol-5-yl)-5-ethylthiophene-2-sulfonamide

N-(3H-benzimidazol-5-yl)-5-ethylthiophene-2-sulfonamide (PubChem CID 110724387) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-5-ethylthiophene-2-sulfonamide
PubChem CID110724387
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC NameN-(3H-benzimidazol-5-yl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc3nc[nH]c3c2)s1
InChIInChI=1S/C13H13N3O2S2/c1-2-10-4-6-13(19-10)20(17,18)16-9-3-5-11-12(7-9)15-8-14-11/h3-8,16H,2H2,1H3,(H,14,15)
InChIKeyIQTYYXXCBYJKCQ-UHFFFAOYSA-N
XLogP2.99
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)thiophene-2-sulfonamide
CID 110779086
N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide
CID 110729074
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
5-ethyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)thiophene-2-sulfonamide
CID 110721865
N-(4-amino-3-methylphenyl)-5-ethylthiophene-2-sulfonamide
CID 54984022
N-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide
CID 110724410
N-(6-chloro-3-pyridinyl)-5-ethylthiophene-2-sulfonamide
CID 113231899
N-(3H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide
CID 110724381
N-(3-amino-4-chlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 61454417
N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 113098917
5-ethyl-N-(4-methoxyphenyl)thiophene-2-sulfonamide
CID 47309103

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-5-ethylthiophene-2-sulfonamide (CID 110724387) is N-(3H-benzimidazol-5-yl)-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc3nc[nH]c3c2)s1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-5-ethylthiophene-2-sulfonamide?
The InChIKey is IQTYYXXCBYJKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c1-2-10-4-6-13(19-10)20(17,18)16-9-3-5-11-12(7-9)15-8-14-11/h3-8,16H,2H2,1H3,(H,14,15).
What are the key properties of N-(3H-benzimidazol-5-yl)-5-ethylthiophene-2-sulfonamide?
N-(3H-benzimidazol-5-yl)-5-ethylthiophene-2-sulfonamide has a molecular weight of 307.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 110724387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).