5-ethyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)thiophene-2-sulfonamide

C14H15N3O3S2 — CID 110721865

IUPAC5-ethyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)[nH]c(=O)n3C)s1
InChIInChI=1S/C14H15N3O3S2/c1-3-10-5-7-13(21-10)22(19,20)16-9-4-6-12-11(8-9)15-14(18)17(12)2/h4-8,16H,3H2,1-2H3,(H,15,18)
InChIKeySJJZBFLRRFAICX-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.29
Rot. Bonds4

About 5-ethyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)thiophene-2-sulfonamide

5-ethyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)thiophene-2-sulfonamide (PubChem CID 110721865) has the molecular formula C14H15N3O3S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is 5-ethyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)thiophene-2-sulfonamide
PubChem CID110721865
Molecular FormulaC14H15N3O3S2
Molecular Weight337.43 g/mol
Exact Mass337.06
IUPAC Name5-ethyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)[nH]c(=O)n3C)s1
InChIInChI=1S/C14H15N3O3S2/c1-3-10-5-7-13(21-10)22(19,20)16-9-4-6-12-11(8-9)15-14(18)17(12)2/h4-8,16H,3H2,1-2H3,(H,15,18)
InChIKeySJJZBFLRRFAICX-UHFFFAOYSA-N
XLogP2.29
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-5-ethylthiophene-2-sulfonamide
CID 47308966
4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110721833
N-(3H-benzimidazol-5-yl)-5-ethylthiophene-2-sulfonamide
CID 110724387
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
2-methoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 71291563
4-fluoro-2-methyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110721851
5-ethyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)thiophene-2-sulfonamide
CID 110779086
2-cyano-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110721904
N-(4-amino-3-methylphenyl)-5-ethylthiophene-2-sulfonamide
CID 54984022
3-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110721894
N-(3-amino-4-chlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 61454417
N-(3,5-dichlorophenyl)-5-ethylthiophene-2-sulfonamide
CID 113098917

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)thiophene-2-sulfonamide (CID 110721865) is 5-ethyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)[nH]c(=O)n3C)s1.
What is the InChIKey of 5-ethyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is SJJZBFLRRFAICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S2/c1-3-10-5-7-13(21-10)22(19,20)16-9-4-6-12-11(8-9)15-14(18)17(12)2/h4-8,16H,3H2,1-2H3,(H,15,18).
What are the key properties of 5-ethyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)thiophene-2-sulfonamide?
5-ethyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 337.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 110721865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).