N-[5-[1-[(3,4-difluorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]-2,3,4-trifluorobenzenesulfonamide

C25H15F6N3O3S — CID 46879998

IUPACN-[5-[1-[(3,4-difluorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]-2,3,4-trifluorobenzenesulfonamide
SMILESCc1cn(Cc2ccc(F)c(F)c2)c2c(-c3cc(NS(=O)(=O)c4ccc(F)c(F)c4F)no3)cc(F)cc12
InChIInChI=1S/C25H15F6N3O3S/c1-12-10-34(11-13-2-3-17(27)19(29)6-13)25-15(12)7-14(26)8-16(25)20-9-22(32-37-20)33-38(35,36)21-5-4-18(28)23(30)24(21)31/h2-10H,11H2,1H3,(H,32,33)
InChIKeyOLYDUZVYCKSAIT-UHFFFAOYSA-N
MW551.47 g/mol
LogP6.29
Rot. Bonds6

About N-[5-[1-[(3,4-difluorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]-2,3,4-trifluorobenzenesulfonamide

N-[5-[1-[(3,4-difluorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]-2,3,4-trifluorobenzenesulfonamide (PubChem CID 46879998) has the molecular formula C25H15F6N3O3S and a molecular weight of 551.47 g/mol. Its IUPAC name is N-[5-[1-[(3,4-difluorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]-2,3,4-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[1-[(3,4-difluorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]-2,3,4-trifluorobenzenesulfonamide
PubChem CID46879998
Molecular FormulaC25H15F6N3O3S
Molecular Weight551.47 g/mol
Exact Mass551.07
IUPAC NameN-[5-[1-[(3,4-difluorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]-2,3,4-trifluorobenzenesulfonamide
SMILESCc1cn(Cc2ccc(F)c(F)c2)c2c(-c3cc(NS(=O)(=O)c4ccc(F)c(F)c4F)no3)cc(F)cc12
InChIInChI=1S/C25H15F6N3O3S/c1-12-10-34(11-13-2-3-17(27)19(29)6-13)25-15(12)7-14(26)8-16(25)20-9-22(32-37-20)33-38(35,36)21-5-4-18(28)23(30)24(21)31/h2-10H,11H2,1H3,(H,32,33)
InChIKeyOLYDUZVYCKSAIT-UHFFFAOYSA-N
XLogP6.29
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.47
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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

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

Launch Full Analysis

Related Compounds

N-[(2R)-1-[[(2S)-1-(benzenesulfonamido)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-[4-(1,2-oxazol-5-yl)phenyl]-1-oxopropan-2-yl]-N,3,5-trimethylbenzamide
CID 44311915
3,4-dichloro-N-(5-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-indol-7-yl)isoxazol-3-yl)benzenesulfonamide
CID 46879859
N-(5-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-indol-7-yl)isoxazol-3-yl)-3,4-difluorobenzenesulfonamide
CID 46879894
3,4-difluoro-N-(5-(5-fluoro-3-methyl-1-(naphthalen-2-ylmethyl)-1H-indol-7-yl)isoxazol-3-yl)benzenesulfonamide
CID 46879895
4,5-dichloro-N-(5-(5-fluoro-3-methyl-1-(naphthalen-2-ylmethyl)-1H-indol-7-yl)isoxazol-3-yl)thiophene-2-sulfonamide
CID 46879758
4,5-dichloro-N-(5-(1-(3,4-difluorobenzyl)-5-fluoro-3-methyl-1H-indol-7-yl)isoxazol-3-yl)thiophene-2-sulfonamide
CID 46879756
2,4,5-trifluoro-N-(5-(5-fluoro-3-methyl-1-(naphthalen-2-ylmethyl)-1H-indol-7-yl)isoxazol-3-yl)benzenesulfonamide
CID 46879800
N-(5-(1-(2,4-dichlorobenzyl)-5-fluoro-3-methyl-1H-indol-7-yl)isoxazol-3-yl)-2,4,5-trifluorobenzenesulfonamide
CID 46879801
3,4-dichloro-N-(5-(5-fluoro-3-methyl-1-(naphthalen-2-ylmethyl)-1H-indol-7-yl)isoxazol-3-yl)benzenesulfonamide
CID 46879858
N-(5-(1-(3,4-difluorobenzyl)-5-fluoro-3-methyl-1H-indol-7-yl)isoxazol-3-yl)-3,4-difluorobenzenesulfonamide
CID 46879999
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(4-fluorophenyl)methyl]indol-1-yl]-N-hydroxyhexanamide
CID 141736090
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-(4-fluorophenyl)ethyl]indol-1-yl]-N-hydroxyhexanamide
CID 141736091

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(3,4-difluorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]-2,3,4-trifluorobenzenesulfonamide?
The IUPAC name of N-[5-[1-[(3,4-difluorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]-2,3,4-trifluorobenzenesulfonamide (CID 46879998) is N-[5-[1-[(3,4-difluorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]-2,3,4-trifluorobenzenesulfonamide.
What is the SMILES notation for N-[5-[1-[(3,4-difluorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]-2,3,4-trifluorobenzenesulfonamide?
The canonical SMILES for N-[5-[1-[(3,4-difluorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]-2,3,4-trifluorobenzenesulfonamide is Cc1cn(Cc2ccc(F)c(F)c2)c2c(-c3cc(NS(=O)(=O)c4ccc(F)c(F)c4F)no3)cc(F)cc12.
What is the InChIKey of N-[5-[1-[(3,4-difluorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]-2,3,4-trifluorobenzenesulfonamide?
The InChIKey is OLYDUZVYCKSAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F6N3O3S/c1-12-10-34(11-13-2-3-17(27)19(29)6-13)25-15(12)7-14(26)8-16(25)20-9-22(32-37-20)33-38(35,36)21-5-4-18(28)23(30)24(21)31/h2-10H,11H2,1H3,(H,32,33).
What are the key properties of N-[5-[1-[(3,4-difluorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]-2,3,4-trifluorobenzenesulfonamide?
N-[5-[1-[(3,4-difluorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]-2,3,4-trifluorobenzenesulfonamide has a molecular weight of 551.47 g/mol, XLogP of 6.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[(3,4-difluorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2-oxazol-3-yl]-2,3,4-trifluorobenzenesulfonamide is sourced from PubChem (CID 46879998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).