3-chloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C15H16ClNO2S2 — CID 90496109

IUPAC3-chloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(Cl)c1)N(CCc1cccs1)C1CC1
InChIInChI=1S/C15H16ClNO2S2/c16-12-3-1-5-15(11-12)21(18,19)17(13-6-7-13)9-8-14-4-2-10-20-14/h1-5,10-11,13H,6-9H2
InChIKeyFJXSXVYBXIUPIH-UHFFFAOYSA-N
MW341.88 g/mol
LogP3.80
Rot. Bonds6

About 3-chloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

3-chloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 90496109) has the molecular formula C15H16ClNO2S2 and a molecular weight of 341.88 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID90496109
Molecular FormulaC15H16ClNO2S2
Molecular Weight341.88 g/mol
Exact Mass341.03
IUPAC Name3-chloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(Cl)c1)N(CCc1cccs1)C1CC1
InChIInChI=1S/C15H16ClNO2S2/c16-12-3-1-5-15(11-12)21(18,19)17(13-6-7-13)9-8-14-4-2-10-20-14/h1-5,10-11,13H,6-9H2
InChIKeyFJXSXVYBXIUPIH-UHFFFAOYSA-N
XLogP3.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 90496109) is 3-chloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is O=S(=O)(c1cccc(Cl)c1)N(CCc1cccs1)C1CC1.
What is the InChIKey of 3-chloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is FJXSXVYBXIUPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S2/c16-12-3-1-5-15(11-12)21(18,19)17(13-6-7-13)9-8-14-4-2-10-20-14/h1-5,10-11,13H,6-9H2.
What are the key properties of 3-chloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
3-chloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 341.88 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 90496109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).