N-[2-(4-chlorophenyl)ethyl]-3,4-difluorobenzenesulfonamide

C14H12ClF2NO2S — CID 2404283

IUPACN-[2-(4-chlorophenyl)ethyl]-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H12ClF2NO2S/c15-11-3-1-10(2-4-11)7-8-18-21(19,20)12-5-6-13(16)14(17)9-12/h1-6,9,18H,7-8H2
InChIKeyRCAHWBJXLAJLTR-UHFFFAOYSA-N
MW331.77 g/mol
LogP3.14
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-3,4-difluorobenzenesulfonamide

N-[2-(4-chlorophenyl)ethyl]-3,4-difluorobenzenesulfonamide (PubChem CID 2404283) has the molecular formula C14H12ClF2NO2S and a molecular weight of 331.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3,4-difluorobenzenesulfonamide
PubChem CID2404283
Molecular FormulaC14H12ClF2NO2S
Molecular Weight331.77 g/mol
Exact Mass331.02
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(Cl)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H12ClF2NO2S/c15-11-3-1-10(2-4-11)7-8-18-21(19,20)12-5-6-13(16)14(17)9-12/h1-6,9,18H,7-8H2
InChIKeyRCAHWBJXLAJLTR-UHFFFAOYSA-N
XLogP3.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3,4-difluorobenzenesulfonamide (CID 2404283) is N-[2-(4-chlorophenyl)ethyl]-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3,4-difluorobenzenesulfonamide is O=S(=O)(NCCc1ccc(Cl)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3,4-difluorobenzenesulfonamide?
The InChIKey is RCAHWBJXLAJLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO2S/c15-11-3-1-10(2-4-11)7-8-18-21(19,20)12-5-6-13(16)14(17)9-12/h1-6,9,18H,7-8H2.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3,4-difluorobenzenesulfonamide?
N-[2-(4-chlorophenyl)ethyl]-3,4-difluorobenzenesulfonamide has a molecular weight of 331.77 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 2404283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).