3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]benzenesulfonamide

C25H16Cl4FN3O3S — CID 46879859

IUPAC3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]benzenesulfonamide
SMILESCc1cn(Cc2ccc(Cl)cc2Cl)c2c(-c3cc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)no3)cc(F)cc12
InChIInChI=1S/C25H16Cl4FN3O3S/c1-13-11-33(12-14-2-3-15(26)6-21(14)28)25-18(13)7-16(30)8-19(25)23-10-24(31-36-23)32-37(34,35)17-4-5-20(27)22(29)9-17/h2-11H,12H2,1H3,(H,31,32)
InChIKeyNHVNKXRITFZVNC-UHFFFAOYSA-N
MW599.30 g/mol
LogP8.21
Rot. Bonds6

About 3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]benzenesulfonamide

3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]benzenesulfonamide (PubChem CID 46879859) has the molecular formula C25H16Cl4FN3O3S and a molecular weight of 599.30 g/mol. Its IUPAC name is 3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]benzenesulfonamide
PubChem CID46879859
Molecular FormulaC25H16Cl4FN3O3S
Molecular Weight599.30 g/mol
Exact Mass596.97
IUPAC Name3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]benzenesulfonamide
SMILESCc1cn(Cc2ccc(Cl)cc2Cl)c2c(-c3cc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)no3)cc(F)cc12
InChIInChI=1S/C25H16Cl4FN3O3S/c1-13-11-33(12-14-2-3-15(26)6-21(14)28)25-18(13)7-16(30)8-19(25)23-10-24(31-36-23)32-37(34,35)17-4-5-20(27)22(29)9-17/h2-11H,12H2,1H3,(H,31,32)
InChIKeyNHVNKXRITFZVNC-UHFFFAOYSA-N
XLogP8.21
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.30
LogP ≤ 58.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]benzenesulfonamide (CID 46879859) is 3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]benzenesulfonamide is Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(-c3cc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)no3)cc(F)cc12.
What is the InChIKey of 3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]benzenesulfonamide?
The InChIKey is NHVNKXRITFZVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl4FN3O3S/c1-13-11-33(12-14-2-3-15(26)6-21(14)28)25-18(13)7-16(30)8-19(25)23-10-24(31-36-23)32-37(34,35)17-4-5-20(27)22(29)9-17/h2-11H,12H2,1H3,(H,31,32).
What are the key properties of 3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]benzenesulfonamide?
3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]benzenesulfonamide has a molecular weight of 599.30 g/mol, XLogP of 8.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 46879859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).