N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide

C14H15N3O2S2 — CID 110711995

IUPACN-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCn1c(CCNS(=O)(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C14H15N3O2S2/c1-17-12-6-3-2-5-11(12)16-13(17)8-9-15-21(18,19)14-7-4-10-20-14/h2-7,10,15H,8-9H2,1H3
InChIKeyYOOPGRBQTHUAPW-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.16
Rot. Bonds5

About N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide

N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 110711995) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID110711995
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC NameN-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCn1c(CCNS(=O)(=O)c2cccs2)nc2ccccc21
InChIInChI=1S/C14H15N3O2S2/c1-17-12-6-3-2-5-11(12)16-13(17)8-9-15-21(18,19)14-7-4-10-20-14/h2-7,10,15H,8-9H2,1H3
InChIKeyYOOPGRBQTHUAPW-UHFFFAOYSA-N
XLogP2.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 110711996
2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 110712008
4-methoxy-3-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 46969297
N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 9190738
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
N-[2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide
CID 71835322
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 56790573
N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 110671451
N-[2-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110605316
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
1-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propane-1,2-diamine
CID 83961987

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide (CID 110711995) is N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide is Cn1c(CCNS(=O)(=O)c2cccs2)nc2ccccc21.
What is the InChIKey of N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is YOOPGRBQTHUAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-17-12-6-3-2-5-11(12)16-13(17)8-9-15-21(18,19)14-7-4-10-20-14/h2-7,10,15H,8-9H2,1H3.
What are the key properties of N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 321.43 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110711995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).