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

C29H24ClFN4O6S2 — CID 25225423

IUPAC5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccccc2F)cc1NS(C)(=O)=O
InChIInChI=1S/C29H24ClFN4O6S2/c1-17-9-11-20(15-24(17)33-42(2,38)39)43(40,41)34-29(37)27-26(21-7-5-13-32-28(21)36)22-14-19(30)10-12-25(22)35(27)16-18-6-3-4-8-23(18)31/h3-15,33H,16H2,1-2H3,(H,32,36)(H,34,37)
InChIKeyGETIYZDPUAXUQT-UHFFFAOYSA-N
MW643.12 g/mol
LogP4.64
Rot. Bonds8

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

5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 25225423) has the molecular formula C29H24ClFN4O6S2 and a molecular weight of 643.12 g/mol. Its IUPAC name is 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID25225423
Molecular FormulaC29H24ClFN4O6S2
Molecular Weight643.12 g/mol
Exact Mass642.08
IUPAC Name5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccccc2F)cc1NS(C)(=O)=O
InChIInChI=1S/C29H24ClFN4O6S2/c1-17-9-11-20(15-24(17)33-42(2,38)39)43(40,41)34-29(37)27-26(21-7-5-13-32-28(21)36)22-14-19(30)10-12-25(22)35(27)16-18-6-3-4-8-23(18)31/h3-15,33H,16H2,1-2H3,(H,32,36)(H,34,37)
InChIKeyGETIYZDPUAXUQT-UHFFFAOYSA-N
XLogP4.64
TPSA147.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500643.12
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]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-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 25225423) is 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]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-methylphenyl]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-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2Cc2ccccc2F)cc1NS(C)(=O)=O.
What is the InChIKey of 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is GETIYZDPUAXUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClFN4O6S2/c1-17-9-11-20(15-24(17)33-42(2,38)39)43(40,41)34-29(37)27-26(21-7-5-13-32-28(21)36)22-14-19(30)10-12-25(22)35(27)16-18-6-3-4-8-23(18)31/h3-15,33H,16H2,1-2H3,(H,32,36)(H,34,37).
What are the key properties of 5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)-4-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 643.12 g/mol, XLogP of 4.64, 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-methylphenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 25225423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).