N-[(4-chloro-3-fluorophenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide

C13H12ClFN2O3S2 — CID 162436639

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)c(F)c2)s1
InChIInChI=1S/C13H12ClFN2O3S2/c1-16-22(19,20)12-5-4-11(21-12)13(18)17-7-8-2-3-9(14)10(15)6-8/h2-6,16H,7H2,1H3,(H,17,18)
InChIKeyKXZXDSZWUQIPAJ-UHFFFAOYSA-N
MW362.84 g/mol
LogP2.38
Rot. Bonds5

About N-[(4-chloro-3-fluorophenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide

N-[(4-chloro-3-fluorophenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide (PubChem CID 162436639) has the molecular formula C13H12ClFN2O3S2 and a molecular weight of 362.84 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
PubChem CID162436639
Molecular FormulaC13H12ClFN2O3S2
Molecular Weight362.84 g/mol
Exact Mass362.00
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)c(F)c2)s1
InChIInChI=1S/C13H12ClFN2O3S2/c1-16-22(19,20)12-5-4-11(21-12)13(18)17-7-8-2-3-9(14)10(15)6-8/h2-6,16H,7H2,1H3,(H,17,18)
InChIKeyKXZXDSZWUQIPAJ-UHFFFAOYSA-N
XLogP2.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
CID 162436549
N-[(2,4-dichlorophenyl)methyl]-5-methylsulfonylthiophene-2-carboxamide
CID 162436580
N-[(2-bromo-4-methylphenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
CID 170018029
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
CID 167529315
2-[(4-chloro-3-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406683
5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide
CID 79987282
3-chloro-4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]benzamide
CID 87487407
N-[(1R,2S)-5-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-(methylsulfamoyl)thiophene-2-carboxamide
CID 169263113
5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 9165422
4-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81227434
N-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 53124526
N-[(3,4-difluorophenyl)methyl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
CID 97141233

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide (CID 162436639) is N-[(4-chloro-3-fluorophenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide is CNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)c(F)c2)s1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide?
The InChIKey is KXZXDSZWUQIPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O3S2/c1-16-22(19,20)12-5-4-11(21-12)13(18)17-7-8-2-3-9(14)10(15)6-8/h2-6,16H,7H2,1H3,(H,17,18).
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide?
N-[(4-chloro-3-fluorophenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide has a molecular weight of 362.84 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methyl]-5-(methylsulfamoyl)thiophene-2-carboxamide is sourced from PubChem (CID 162436639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).