5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4,5-dimethylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

C30H26ClFN4O6S2 — CID 25225228

IUPAC5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4,5-dimethylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCc1cc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccccc2F)cc(NS(C)(=O)=O)c1C
InChIInChI=1S/C30H26ClFN4O6S2/c1-17-13-21(15-25(18(17)2)34-43(3,39)40)44(41,42)35-30(38)28-27(22-8-6-12-33-29(22)37)23-14-20(31)10-11-26(23)36(28)16-19-7-4-5-9-24(19)32/h4-15,34H,16H2,1-3H3,(H,33,37)(H,35,38)
InChIKeyQHCDSPMDAOKOMZ-UHFFFAOYSA-N
MW657.15 g/mol
LogP4.94
Rot. Bonds8

About 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4,5-dimethylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4,5-dimethylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 25225228) has the molecular formula C30H26ClFN4O6S2 and a molecular weight of 657.15 g/mol. Its IUPAC name is 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4,5-dimethylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4,5-dimethylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID25225228
Molecular FormulaC30H26ClFN4O6S2
Molecular Weight657.15 g/mol
Exact Mass656.10
IUPAC Name5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4,5-dimethylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCc1cc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccccc2F)cc(NS(C)(=O)=O)c1C
InChIInChI=1S/C30H26ClFN4O6S2/c1-17-13-21(15-25(18(17)2)34-43(3,39)40)44(41,42)35-30(38)28-27(22-8-6-12-33-29(22)37)23-14-20(31)10-11-26(23)36(28)16-19-7-4-5-9-24(19)32/h4-15,34H,16H2,1-3H3,(H,33,37)(H,35,38)
InChIKeyQHCDSPMDAOKOMZ-UHFFFAOYSA-N
XLogP4.94
TPSA147.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500657.15
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4,5-dimethylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide 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 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4,5-dimethylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4,5-dimethylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 25225228) is 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4,5-dimethylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4,5-dimethylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4,5-dimethylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is Cc1cc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccccc2F)cc(NS(C)(=O)=O)c1C.
What is the InChIKey of 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4,5-dimethylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is QHCDSPMDAOKOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClFN4O6S2/c1-17-13-21(15-25(18(17)2)34-43(3,39)40)44(41,42)35-30(38)28-27(22-8-6-12-33-29(22)37)23-14-20(31)10-11-26(23)36(28)16-19-7-4-5-9-24(19)32/h4-15,34H,16H2,1-3H3,(H,33,37)(H,35,38).
What are the key properties of 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4,5-dimethylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4,5-dimethylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 657.15 g/mol, XLogP of 4.94, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4,5-dimethylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 25225228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).