N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethylthiophene-2-sulfonamide

C13H11ClF3NO2S2 — CID 100550027

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethylthiophene-2-sulfonamide
SMILESCCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H11ClF3NO2S2/c1-2-18(22(19,20)12-4-3-7-21-12)9-5-6-11(14)10(8-9)13(15,16)17/h3-8H,2H2,1H3
InChIKeyCCQBOKZRSGKWOL-UHFFFAOYSA-N
MW369.82 g/mol
LogP4.64
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethylthiophene-2-sulfonamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethylthiophene-2-sulfonamide (PubChem CID 100550027) has the molecular formula C13H11ClF3NO2S2 and a molecular weight of 369.82 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethylthiophene-2-sulfonamide
PubChem CID100550027
Molecular FormulaC13H11ClF3NO2S2
Molecular Weight369.82 g/mol
Exact Mass368.99
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethylthiophene-2-sulfonamide
SMILESCCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H11ClF3NO2S2/c1-2-18(22(19,20)12-4-3-7-21-12)9-5-6-11(14)10(8-9)13(15,16)17/h3-8H,2H2,1H3
InChIKeyCCQBOKZRSGKWOL-UHFFFAOYSA-N
XLogP4.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.82
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-chlorophenyl)-N-ethylthiophene-2-sulfonamide
CID 100551123
N-(3-amino-4-methoxyphenyl)-N-ethylthiophene-2-sulfonamide
CID 39452560
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-sulfonamide
CID 100550390
N-ethyl-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 100550599
methyl 2-chloro-5-[(2-ethoxy-2-oxoethyl)-thiophen-2-ylsulfonylamino]benzoate
CID 100551525
methyl 2-[4-chloro-N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetate
CID 100503773
N-(3-chloro-4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100549879
N-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 100551054
3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 100513141
3-chloro-N-ethyl-4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 100513964
N-(2-aminophenyl)-N-ethylthiophene-2-sulfonamide
CID 62102311
N-ethyl-N-methylthiophene-2-sulfonamide;hydrochloride
CID 130616398

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethylthiophene-2-sulfonamide (CID 100550027) is N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethylthiophene-2-sulfonamide is CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethylthiophene-2-sulfonamide?
The InChIKey is CCQBOKZRSGKWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3NO2S2/c1-2-18(22(19,20)12-4-3-7-21-12)9-5-6-11(14)10(8-9)13(15,16)17/h3-8H,2H2,1H3.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethylthiophene-2-sulfonamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethylthiophene-2-sulfonamide has a molecular weight of 369.82 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 100550027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).