3,5-dichloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-1H-indole-2-carboxamide

C17H12Cl2F3N3O3S — CID 55913848

IUPAC3,5-dichloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1[nH]c2ccc(Cl)cc2c1Cl
InChIInChI=1S/C17H12Cl2F3N3O3S/c18-9-1-6-13-12(7-9)14(19)15(25-13)16(26)24-10-2-4-11(5-3-10)29(27,28)23-8-17(20,21)22/h1-7,23,25H,8H2,(H,24,26)
InChIKeyYIWNLIMPWCMZEG-UHFFFAOYSA-N
MW466.27 g/mol
LogP4.57
Rot. Bonds5

About 3,5-dichloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-1H-indole-2-carboxamide

3,5-dichloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 55913848) has the molecular formula C17H12Cl2F3N3O3S and a molecular weight of 466.27 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-1H-indole-2-carboxamide
PubChem CID55913848
Molecular FormulaC17H12Cl2F3N3O3S
Molecular Weight466.27 g/mol
Exact Mass464.99
IUPAC Name3,5-dichloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1[nH]c2ccc(Cl)cc2c1Cl
InChIInChI=1S/C17H12Cl2F3N3O3S/c18-9-1-6-13-12(7-9)14(19)15(25-13)16(26)24-10-2-4-11(5-3-10)29(27,28)23-8-17(20,21)22/h1-7,23,25H,8H2,(H,24,26)
InChIKeyYIWNLIMPWCMZEG-UHFFFAOYSA-N
XLogP4.57
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.27
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide
CID 166187794
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 9474695
1-(3-chlorophenyl)-5-ethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 46589327
7-amino-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119692432
2-amino-2-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pentanamide
CID 119692461
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9474741
6-(dimethylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyridazine-3-carboxamide
CID 56581337
3,5-dichloro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-indole-2-carboxamide
CID 55911404
3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 9474697
(E)-3-(6-chloro-2H-chromen-3-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]prop-2-enamide
CID 24515923
3,5-dichloro-N-(4-hydroxy-2,2-dimethylpentyl)-1H-indole-2-carboxamide
CID 111520117
3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 9474698

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 3,5-dichloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-1H-indole-2-carboxamide (CID 55913848) is 3,5-dichloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3,5-dichloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3,5-dichloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-1H-indole-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1[nH]c2ccc(Cl)cc2c1Cl.
What is the InChIKey of 3,5-dichloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is YIWNLIMPWCMZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F3N3O3S/c18-9-1-6-13-12(7-9)14(19)15(25-13)16(26)24-10-2-4-11(5-3-10)29(27,28)23-8-17(20,21)22/h1-7,23,25H,8H2,(H,24,26).
What are the key properties of 3,5-dichloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-1H-indole-2-carboxamide?
3,5-dichloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 466.27 g/mol, XLogP of 4.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55913848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).