5-chloro-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide

C13H11ClF3NO2S2 — CID 134017189

IUPAC5-chloro-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClF3NO2S2/c1-18(22(19,20)12-7-6-11(14)21-12)8-9-2-4-10(5-3-9)13(15,16)17/h2-7H,8H2,1H3
InChIKeyNMKUNSYHYSWVLN-UHFFFAOYSA-N
MW369.82 g/mol
LogP4.24
Rot. Bonds4

About 5-chloro-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide

5-chloro-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide (PubChem CID 134017189) has the molecular formula C13H11ClF3NO2S2 and a molecular weight of 369.82 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
PubChem CID134017189
Molecular FormulaC13H11ClF3NO2S2
Molecular Weight369.82 g/mol
Exact Mass368.99
IUPAC Name5-chloro-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H11ClF3NO2S2/c1-18(22(19,20)12-7-6-11(14)21-12)8-9-2-4-10(5-3-9)13(15,16)17/h2-7H,8H2,1H3
InChIKeyNMKUNSYHYSWVLN-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylthiophene-2-sulfonamide
CID 78786879
N-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 47109851
N-[(5-amino-2-chlorophenyl)methyl]-5-chloro-N-methylthiophene-2-sulfonamide
CID 43550900
5-chloro-N-(2-methoxyethyl)-N-methylthiophene-2-sulfonamide
CID 74225766
N-(3-bromopropyl)-5-chloro-N-methylthiophene-2-sulfonamide
CID 106441802
N-(3-aminopropyl)-5-chloro-N-methylthiophene-2-sulfonamide
CID 96667362
5-bromo-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 55352516
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 60917171
4-(5-chlorothiophen-2-yl)-N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 55347528
N-[(4-hydroxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 54913854
N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide
CID 26542056
5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 61439859

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide (CID 134017189) is 5-chloro-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide is CN(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide?
The InChIKey is NMKUNSYHYSWVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3NO2S2/c1-18(22(19,20)12-7-6-11(14)21-12)8-9-2-4-10(5-3-9)13(15,16)17/h2-7H,8H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide?
5-chloro-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide has a molecular weight of 369.82 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 134017189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).