N-[1-[3-(4-chlorophenyl)-1,1,1-trifluoropentan-3-yl]indazol-4-yl]methanesulfonamide

C19H19ClF3N3O2S — CID 70562836

IUPACN-[1-[3-(4-chlorophenyl)-1,1,1-trifluoropentan-3-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(CC(F)(F)F)(c1ccc(Cl)cc1)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C19H19ClF3N3O2S/c1-3-18(12-19(21,22)23,13-7-9-14(20)10-8-13)26-17-6-4-5-16(15(17)11-24-26)25-29(2,27)28/h4-11,25H,3,12H2,1-2H3
InChIKeyAQGXATRNJJPBSV-UHFFFAOYSA-N
MW445.89 g/mol
LogP5.17
Rot. Bonds6

About N-[1-[3-(4-chlorophenyl)-1,1,1-trifluoropentan-3-yl]indazol-4-yl]methanesulfonamide

N-[1-[3-(4-chlorophenyl)-1,1,1-trifluoropentan-3-yl]indazol-4-yl]methanesulfonamide (PubChem CID 70562836) has the molecular formula C19H19ClF3N3O2S and a molecular weight of 445.89 g/mol. Its IUPAC name is N-[1-[3-(4-chlorophenyl)-1,1,1-trifluoropentan-3-yl]indazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(4-chlorophenyl)-1,1,1-trifluoropentan-3-yl]indazol-4-yl]methanesulfonamide
PubChem CID70562836
Molecular FormulaC19H19ClF3N3O2S
Molecular Weight445.89 g/mol
Exact Mass445.08
IUPAC NameN-[1-[3-(4-chlorophenyl)-1,1,1-trifluoropentan-3-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(CC(F)(F)F)(c1ccc(Cl)cc1)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C19H19ClF3N3O2S/c1-3-18(12-19(21,22)23,13-7-9-14(20)10-8-13)26-17-6-4-5-16(15(17)11-24-26)25-29(2,27)28/h4-11,25H,3,12H2,1-2H3
InChIKeyAQGXATRNJJPBSV-UHFFFAOYSA-N
XLogP5.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.89
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]methanesulfonamide
CID 70564480
1-[3-(4-chlorophenyl)-1,1,1-trifluoropentan-3-yl]indazol-4-amine
CID 70576682
N-[1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide
CID 70562766
N-[1-[1-(4-chlorophenyl)-1-[2-(dimethylamino)cyclopropyl]propyl]indazol-4-yl]methanesulfonamide
CID 123528792
N-[1-[(E)-3-(4-chlorophenyl)-1-isocyanopent-1-en-3-yl]indazol-4-yl]methanesulfonamide
CID 123895178
2-[4-(methanesulfonamido)indazol-1-yl]-2-[4-(trifluoromethyl)phenyl]butanoic acid
CID 90031080
tert-butyl N-[1-[2-(4-chlorophenyl)-4,4,4-trifluoro-1-hydroxybutan-2-yl]indazol-4-yl]carbamate
CID 70561960
N-[1-[3-(4-chlorophenyl)-6-fluorohexan-3-yl]indol-4-yl]methanesulfonamide
CID 70564766
N-[1-[3-(4-chlorophenyl)-1-methylsulfanylpentan-3-yl]indol-4-yl]methanesulfonamide
CID 70564130
N-[1-[3-(4-chlorophenyl)-1-cyanopentan-3-yl]indol-4-yl]methanesulfonamide
CID 70565041
N-[1-[1-(4-chlorophenyl)-1-(2-ethyltriazol-4-yl)propyl]indol-4-yl]methanesulfonamide
CID 70564342
methyl 4-(4-chlorophenyl)-4-[4-(methanesulfonamido)indol-1-yl]hexanoate
CID 70562931

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-chlorophenyl)-1,1,1-trifluoropentan-3-yl]indazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[3-(4-chlorophenyl)-1,1,1-trifluoropentan-3-yl]indazol-4-yl]methanesulfonamide (CID 70562836) is N-[1-[3-(4-chlorophenyl)-1,1,1-trifluoropentan-3-yl]indazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-(4-chlorophenyl)-1,1,1-trifluoropentan-3-yl]indazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[3-(4-chlorophenyl)-1,1,1-trifluoropentan-3-yl]indazol-4-yl]methanesulfonamide is CCC(CC(F)(F)F)(c1ccc(Cl)cc1)n1ncc2c(NS(C)(=O)=O)cccc21.
What is the InChIKey of N-[1-[3-(4-chlorophenyl)-1,1,1-trifluoropentan-3-yl]indazol-4-yl]methanesulfonamide?
The InChIKey is AQGXATRNJJPBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O2S/c1-3-18(12-19(21,22)23,13-7-9-14(20)10-8-13)26-17-6-4-5-16(15(17)11-24-26)25-29(2,27)28/h4-11,25H,3,12H2,1-2H3.
What are the key properties of N-[1-[3-(4-chlorophenyl)-1,1,1-trifluoropentan-3-yl]indazol-4-yl]methanesulfonamide?
N-[1-[3-(4-chlorophenyl)-1,1,1-trifluoropentan-3-yl]indazol-4-yl]methanesulfonamide has a molecular weight of 445.89 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-chlorophenyl)-1,1,1-trifluoropentan-3-yl]indazol-4-yl]methanesulfonamide is sourced from PubChem (CID 70562836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).