N-(2-chloro-4-cyanophenyl)-4,4,4-trifluorobutane-1-sulfonamide

C11H10ClF3N2O2S — CID 103580529

IUPACN-(2-chloro-4-cyanophenyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)CCCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C11H10ClF3N2O2S/c12-9-6-8(7-16)2-3-10(9)17-20(18,19)5-1-4-11(13,14)15/h2-3,6,17H,1,4-5H2
InChIKeyLTZWFWMFILOCHP-UHFFFAOYSA-N
MW326.73 g/mol
LogP3.30
Rot. Bonds5

About N-(2-chloro-4-cyanophenyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(2-chloro-4-cyanophenyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 103580529) has the molecular formula C11H10ClF3N2O2S and a molecular weight of 326.73 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID103580529
Molecular FormulaC11H10ClF3N2O2S
Molecular Weight326.73 g/mol
Exact Mass326.01
IUPAC NameN-(2-chloro-4-cyanophenyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)CCCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C11H10ClF3N2O2S/c12-9-6-8(7-16)2-3-10(9)17-20(18,19)5-1-4-11(13,14)15/h2-3,6,17H,1,4-5H2
InChIKeyLTZWFWMFILOCHP-UHFFFAOYSA-N
XLogP3.30
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.73
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-iodophenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 107606863
1-chloro-N-(2-chloro-4-cyanophenyl)methanesulfonamide
CID 107809713
4-chloro-N-[4-cyano-2-(trifluoromethyl)phenyl]butane-1-sulfonamide
CID 116815082
N-(2-chloro-4-cyanophenyl)-1,1-difluoromethanesulfonamide
CID 107808248
N-(2-chloro-4-hydroxyphenyl)-1-(4-cyanophenyl)methanesulfonamide
CID 64788737
N-(2-chloro-4-cyanophenyl)cyclopropanesulfonamide
CID 104693388
N-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 103943751
N-(2-amino-4-cyanophenyl)butane-1-sulfonamide
CID 78965267
4-chloro-2-(4,4,4-trifluorobutylsulfonylamino)benzoic acid
CID 83046870
3-chloro-4-(3-cyanopropylamino)benzonitrile
CID 107807813
N-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide
CID 43237000
3-fluoro-4-(4,4,4-trifluorobutylsulfonylamino)benzoic acid
CID 83047507

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 103580529) is N-(2-chloro-4-cyanophenyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-4,4,4-trifluorobutane-1-sulfonamide is N#Cc1ccc(NS(=O)(=O)CCCC(F)(F)F)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is LTZWFWMFILOCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O2S/c12-9-6-8(7-16)2-3-10(9)17-20(18,19)5-1-4-11(13,14)15/h2-3,6,17H,1,4-5H2.
What are the key properties of N-(2-chloro-4-cyanophenyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-chloro-4-cyanophenyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 326.73 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 103580529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).