N-(4-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide

C18H12ClF3N2O3S2 — CID 10161709

IUPACN-(4-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1sccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12ClF3N2O3S2/c19-12-4-6-13(7-5-12)23-17(25)16-15(8-9-28-16)24-29(26,27)14-3-1-2-11(10-14)18(20,21)22/h1-10,24H,(H,23,25)
InChIKeyFLBWDQKSDSDIPU-UHFFFAOYSA-N
MW460.89 g/mol
LogP5.47
Rot. Bonds5

About N-(4-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide

N-(4-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide (PubChem CID 10161709) has the molecular formula C18H12ClF3N2O3S2 and a molecular weight of 460.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide
PubChem CID10161709
Molecular FormulaC18H12ClF3N2O3S2
Molecular Weight460.89 g/mol
Exact Mass459.99
IUPAC NameN-(4-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1sccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H12ClF3N2O3S2/c19-12-4-6-13(7-5-12)23-17(25)16-15(8-9-28-16)24-29(26,27)14-3-1-2-11(10-14)18(20,21)22/h1-10,24H,(H,23,25)
InChIKeyFLBWDQKSDSDIPU-UHFFFAOYSA-N
XLogP5.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.89
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-3-[(3-chlorophenyl)sulfonylamino]thiophene-2-carboxamide
CID 70120101
3-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 70120787
N-(3,5-difluorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]thiophene-2-carboxamide
CID 70120169
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
3-(benzenesulfonamido)-N-(3-phenylphenyl)thiophene-2-carboxamide
CID 70122578
3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 10178357
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 26593108
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide
CID 2341223
N-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 22773509
4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
CID 8500429
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4273748
3-(benzenesulfonamido)-N-(4-propan-2-yloxyphenyl)thiophene-2-carboxamide
CID 10136677

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide (CID 10161709) is N-(4-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1sccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide?
The InChIKey is FLBWDQKSDSDIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2O3S2/c19-12-4-6-13(7-5-12)23-17(25)16-15(8-9-28-16)24-29(26,27)14-3-1-2-11(10-14)18(20,21)22/h1-10,24H,(H,23,25).
What are the key properties of N-(4-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide?
N-(4-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide has a molecular weight of 460.89 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]thiophene-2-carboxamide is sourced from PubChem (CID 10161709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).