5-chloro-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-sulfonamide

C14H14ClN3O2S3 — CID 71797224

IUPAC5-chloro-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCn1cc(-c2cccs2)nc1CCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClN3O2S3/c1-18-9-10(11-3-2-8-21-11)17-13(18)6-7-16-23(19,20)14-5-4-12(15)22-14/h2-5,8-9,16H,6-7H2,1H3
InChIKeyZPHSOYGLPGGWKE-UHFFFAOYSA-N
MW387.94 g/mol
LogP3.38
Rot. Bonds6

About 5-chloro-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 71797224) has the molecular formula C14H14ClN3O2S3 and a molecular weight of 387.94 g/mol. Its IUPAC name is 5-chloro-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID71797224
Molecular FormulaC14H14ClN3O2S3
Molecular Weight387.94 g/mol
Exact Mass386.99
IUPAC Name5-chloro-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCn1cc(-c2cccs2)nc1CCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H14ClN3O2S3/c1-18-9-10(11-3-2-8-21-11)17-13(18)6-7-16-23(19,20)14-5-4-12(15)22-14/h2-5,8-9,16H,6-7H2,1H3
InChIKeyZPHSOYGLPGGWKE-UHFFFAOYSA-N
XLogP3.38
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.94
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-sulfonamide (CID 71797224) is 5-chloro-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-sulfonamide is Cn1cc(-c2cccs2)nc1CCNS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is ZPHSOYGLPGGWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S3/c1-18-9-10(11-3-2-8-21-11)17-13(18)6-7-16-23(19,20)14-5-4-12(15)22-14/h2-5,8-9,16H,6-7H2,1H3.
What are the key properties of 5-chloro-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 387.94 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71797224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).