N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide

C14H12ClF2NO2S — CID 3816054

IUPACN-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClF2NO2S/c1-9(10-2-4-11(15)5-3-10)18-21(19,20)14-7-6-12(16)8-13(14)17/h2-9,18H,1H3
InChIKeySWCIMQRPCAGHEJ-UHFFFAOYSA-N
MW331.77 g/mol
LogP3.66
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide

N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide (PubChem CID 3816054) has the molecular formula C14H12ClF2NO2S and a molecular weight of 331.77 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
PubChem CID3816054
Molecular FormulaC14H12ClF2NO2S
Molecular Weight331.77 g/mol
Exact Mass331.02
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClF2NO2S/c1-9(10-2-4-11(15)5-3-10)18-21(19,20)14-7-6-12(16)8-13(14)17/h2-9,18H,1H3
InChIKeySWCIMQRPCAGHEJ-UHFFFAOYSA-N
XLogP3.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 22772322
2-amino-N-[1-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 61106700
2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 18097044
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3463854
N-[1-(3-aminophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 43297963
2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107868985
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 60639502
4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 61105766
2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 61126468
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 61105575
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107869105

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide (CID 3816054) is N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide is CC(NS(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is SWCIMQRPCAGHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO2S/c1-9(10-2-4-11(15)5-3-10)18-21(19,20)14-7-6-12(16)8-13(14)17/h2-9,18H,1H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide?
N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 331.77 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 3816054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).