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

C15H16FNO2S2 — CID 90496100

IUPACN-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(F)c1)N(CCc1cccs1)C1CC1
InChIInChI=1S/C15H16FNO2S2/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
InChIKeyAEAGYJXRQMTIHG-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.28
Rot. Bonds6

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

N-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 90496100) has the molecular formula C15H16FNO2S2 and a molecular weight of 325.43 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID90496100
Molecular FormulaC15H16FNO2S2
Molecular Weight325.43 g/mol
Exact Mass325.06
IUPAC NameN-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(F)c1)N(CCc1cccs1)C1CC1
InChIInChI=1S/C15H16FNO2S2/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
InChIKeyAEAGYJXRQMTIHG-UHFFFAOYSA-N
XLogP3.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 90496100) is N-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide is O=S(=O)(c1cccc(F)c1)N(CCc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is AEAGYJXRQMTIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S2/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 N-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
N-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 325.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 90496100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).