4-chloro-3-[4-[(1-methylindol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]phenyl]benzamide

C24H19ClF3N3O3S — CID 122182888

IUPAC4-chloro-3-[4-[(1-methylindol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]phenyl]benzamide
SMILESCn1ccc2c(S(=O)(=O)N(CC(F)(F)F)c3ccc(-c4cc(C(N)=O)ccc4Cl)cc3)cccc21
InChIInChI=1S/C24H19ClF3N3O3S/c1-30-12-11-18-21(30)3-2-4-22(18)35(33,34)31(14-24(26,27)28)17-8-5-15(6-9-17)19-13-16(23(29)32)7-10-20(19)25/h2-13H,14H2,1H3,(H2,29,32)
InChIKeyFVXDCLYQBSEBRY-UHFFFAOYSA-N
MW521.95 g/mol
LogP5.36
Rot. Bonds6

About 4-chloro-3-[4-[(1-methylindol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]phenyl]benzamide

4-chloro-3-[4-[(1-methylindol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]phenyl]benzamide (PubChem CID 122182888) has the molecular formula C24H19ClF3N3O3S and a molecular weight of 521.95 g/mol. Its IUPAC name is 4-chloro-3-[4-[(1-methylindol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[4-[(1-methylindol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]phenyl]benzamide
PubChem CID122182888
Molecular FormulaC24H19ClF3N3O3S
Molecular Weight521.95 g/mol
Exact Mass521.08
IUPAC Name4-chloro-3-[4-[(1-methylindol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]phenyl]benzamide
SMILESCn1ccc2c(S(=O)(=O)N(CC(F)(F)F)c3ccc(-c4cc(C(N)=O)ccc4Cl)cc3)cccc21
InChIInChI=1S/C24H19ClF3N3O3S/c1-30-12-11-18-21(30)3-2-4-22(18)35(33,34)31(14-24(26,27)28)17-8-5-15(6-9-17)19-13-16(23(29)32)7-10-20(19)25/h2-13H,14H2,1H3,(H2,29,32)
InChIKeyFVXDCLYQBSEBRY-UHFFFAOYSA-N
XLogP5.36
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.95
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[4-[(1-methylindol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]phenyl]benzamide?
The IUPAC name of 4-chloro-3-[4-[(1-methylindol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]phenyl]benzamide (CID 122182888) is 4-chloro-3-[4-[(1-methylindol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-[4-[(1-methylindol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]phenyl]benzamide?
The canonical SMILES for 4-chloro-3-[4-[(1-methylindol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]phenyl]benzamide is Cn1ccc2c(S(=O)(=O)N(CC(F)(F)F)c3ccc(-c4cc(C(N)=O)ccc4Cl)cc3)cccc21.
What is the InChIKey of 4-chloro-3-[4-[(1-methylindol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]phenyl]benzamide?
The InChIKey is FVXDCLYQBSEBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N3O3S/c1-30-12-11-18-21(30)3-2-4-22(18)35(33,34)31(14-24(26,27)28)17-8-5-15(6-9-17)19-13-16(23(29)32)7-10-20(19)25/h2-13H,14H2,1H3,(H2,29,32).
What are the key properties of 4-chloro-3-[4-[(1-methylindol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]phenyl]benzamide?
4-chloro-3-[4-[(1-methylindol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]phenyl]benzamide has a molecular weight of 521.95 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[4-[(1-methylindol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]phenyl]benzamide is sourced from PubChem (CID 122182888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).