N-[4-chloro-3-(trifluoromethyl)phenyl]butane-1-sulfonamide

C11H13ClF3NO2S — CID 22201682

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H13ClF3NO2S/c1-2-3-6-19(17,18)16-8-4-5-10(12)9(7-8)11(13,14)15/h4-5,7,16H,2-3,6H2,1H3
InChIKeyJNARIUCZHVPYFL-UHFFFAOYSA-N
MW315.74 g/mol
LogP3.90
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]butane-1-sulfonamide

N-[4-chloro-3-(trifluoromethyl)phenyl]butane-1-sulfonamide (PubChem CID 22201682) has the molecular formula C11H13ClF3NO2S and a molecular weight of 315.74 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]butane-1-sulfonamide
PubChem CID22201682
Molecular FormulaC11H13ClF3NO2S
Molecular Weight315.74 g/mol
Exact Mass315.03
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C11H13ClF3NO2S/c1-2-3-6-19(17,18)16-8-4-5-10(12)9(7-8)11(13,14)15/h4-5,7,16H,2-3,6H2,1H3
InChIKeyJNARIUCZHVPYFL-UHFFFAOYSA-N
XLogP3.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]butane-1-sulfonamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]butane-1-sulfonamide (CID 22201682) is N-[4-chloro-3-(trifluoromethyl)phenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]butane-1-sulfonamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]butane-1-sulfonamide?
The InChIKey is JNARIUCZHVPYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO2S/c1-2-3-6-19(17,18)16-8-4-5-10(12)9(7-8)11(13,14)15/h4-5,7,16H,2-3,6H2,1H3.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]butane-1-sulfonamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]butane-1-sulfonamide has a molecular weight of 315.74 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 22201682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).