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

C24H15Cl4FN4O3S — CID 46879860

IUPAC3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESCc1cn(Cc2ccc(Cl)cc2Cl)c2c(-c3nnc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)o3)cc(F)cc12
InChIInChI=1S/C24H15Cl4FN4O3S/c1-12-10-33(11-13-2-3-14(25)6-20(13)27)22-17(12)7-15(29)8-18(22)23-30-31-24(36-23)32-37(34,35)16-4-5-19(26)21(28)9-16/h2-10H,11H2,1H3,(H,31,32)
InChIKeyKIXWLNQYVKDCLT-UHFFFAOYSA-N
MW600.29 g/mol
LogP7.60
Rot. Bonds6

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

3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide (PubChem CID 46879860) has the molecular formula C24H15Cl4FN4O3S and a molecular weight of 600.29 g/mol. Its IUPAC name is 3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide
PubChem CID46879860
Molecular FormulaC24H15Cl4FN4O3S
Molecular Weight600.29 g/mol
Exact Mass597.96
IUPAC Name3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESCc1cn(Cc2ccc(Cl)cc2Cl)c2c(-c3nnc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)o3)cc(F)cc12
InChIInChI=1S/C24H15Cl4FN4O3S/c1-12-10-33(11-13-2-3-14(25)6-20(13)27)22-17(12)7-15(29)8-18(22)23-30-31-24(36-23)32-37(34,35)16-4-5-19(26)21(28)9-16/h2-10H,11H2,1H3,(H,31,32)
InChIKeyKIXWLNQYVKDCLT-UHFFFAOYSA-N
XLogP7.60
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.29
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide (CID 46879860) is 3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide is Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(-c3nnc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)o3)cc(F)cc12.
What is the InChIKey of 3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The InChIKey is KIXWLNQYVKDCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl4FN4O3S/c1-12-10-33(11-13-2-3-14(25)6-20(13)27)22-17(12)7-15(29)8-18(22)23-30-31-24(36-23)32-37(34,35)16-4-5-19(26)21(28)9-16/h2-10H,11H2,1H3,(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]-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
3,4-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide has a molecular weight of 600.29 g/mol, XLogP of 7.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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]-1,3,4-oxadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 46879860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).