N-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

C14H12F3NO2S2 — CID 100551054

IUPACN-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESC=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H12F3NO2S2/c1-2-9-18(22(19,20)13-4-3-10-21-13)12-7-5-11(6-8-12)14(15,16)17/h2-8,10H,1,9H2
InChIKeyLDMCEOWGLVOYAS-UHFFFAOYSA-N
MW347.38 g/mol
LogP4.15
Rot. Bonds5

About N-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

N-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 100551054) has the molecular formula C14H12F3NO2S2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
PubChem CID100551054
Molecular FormulaC14H12F3NO2S2
Molecular Weight347.38 g/mol
Exact Mass347.03
IUPAC NameN-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESC=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H12F3NO2S2/c1-2-9-18(22(19,20)13-4-3-10-21-13)12-7-5-11(6-8-12)14(15,16)17/h2-8,10H,1,9H2
InChIKeyLDMCEOWGLVOYAS-UHFFFAOYSA-N
XLogP4.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100548025
N-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100547585
methyl 4-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100548946
N-(3-chloro-4-methoxyphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100549879
N-hydroxy-7-[N-thiophen-2-ylsulfonyl-4-[4-(trifluoromethyl)phenyl]anilino]heptanamide
CID 142976524
N-(2-methylphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100547015
methyl 2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100548313
N-(2-chloro-5-nitrophenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100552462
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethylthiophene-2-sulfonamide
CID 100550027
2-(4-hydroxy-N-thiophen-2-ylsulfonylanilino)acetic acid
CID 60828163
N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 21176284
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide
CID 2989459

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (CID 100551054) is N-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is C=CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is LDMCEOWGLVOYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S2/c1-2-9-18(22(19,20)13-4-3-10-21-13)12-7-5-11(6-8-12)14(15,16)17/h2-8,10H,1,9H2.
What are the key properties of N-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
N-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 347.38 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 100551054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).