N,N-dimethyl-5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide

C14H15F3N2O4S3 — CID 24581151

IUPACN,N-dimethyl-5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C14H15F3N2O4S3/c1-19(2)26(22,23)13-8-5-11(24-13)9-18-25(20,21)12-6-3-10(4-7-12)14(15,16)17/h3-8,18H,9H2,1-2H3
InChIKeyNEUOVUZWEILLEZ-UHFFFAOYSA-N
MW428.48 g/mol
LogP2.50
Rot. Bonds6

About N,N-dimethyl-5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide

N,N-dimethyl-5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide (PubChem CID 24581151) has the molecular formula C14H15F3N2O4S3 and a molecular weight of 428.48 g/mol. Its IUPAC name is N,N-dimethyl-5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide
PubChem CID24581151
Molecular FormulaC14H15F3N2O4S3
Molecular Weight428.48 g/mol
Exact Mass428.01
IUPAC NameN,N-dimethyl-5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C14H15F3N2O4S3/c1-19(2)26(22,23)13-8-5-11(24-13)9-18-25(20,21)12-6-3-10(4-7-12)14(15,16)17/h3-8,18H,9H2,1-2H3
InChIKeyNEUOVUZWEILLEZ-UHFFFAOYSA-N
XLogP2.50
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(4-fluorophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581110
5-[[(4-ethylphenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581157
N,N-dimethyl-5-[[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide
CID 24581162
5-[[(3-bromophenyl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581138
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56587289
5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581133
5-[(3,4-dihydronaphthalen-2-ylsulfonylamino)methyl]-N,N-dimethylthiophene-2-sulfonamide
CID 24581155
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 111268085
N-propyl-4-(trifluoromethyl)benzenesulfonamide
CID 43212868
5-bromo-2-chloro-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]pyridine-3-sulfonamide
CID 55904903
5-[[(4-chlorophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide
CID 43242482
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea
CID 47132005

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide?
The IUPAC name of N,N-dimethyl-5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide (CID 24581151) is N,N-dimethyl-5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of N,N-dimethyl-5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide?
The InChIKey is NEUOVUZWEILLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O4S3/c1-19(2)26(22,23)13-8-5-11(24-13)9-18-25(20,21)12-6-3-10(4-7-12)14(15,16)17/h3-8,18H,9H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide?
N,N-dimethyl-5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide has a molecular weight of 428.48 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 24581151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).