5-chloro-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)-1-(3,3,3-trifluoropropyl)indole-2-carboxamide

C24H20ClF3N4O6S2 — CID 58132238

IUPAC5-chloro-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)-1-(3,3,3-trifluoropropyl)indole-2-carboxamide
SMILESCS(=O)(=O)Nc1cccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2CCC(F)(F)F)c1
InChIInChI=1S/C24H20ClF3N4O6S2/c1-39(35,36)30-15-4-2-5-16(13-15)40(37,38)31-23(34)21-20(17-6-3-10-29-22(17)33)18-12-14(25)7-8-19(18)32(21)11-9-24(26,27)28/h2-8,10,12-13,30H,9,11H2,1H3,(H,29,33)(H,31,34)
InChIKeyMSOIFUGTASNXSB-UHFFFAOYSA-N
MW617.03 g/mol
LogP4.09
Rot. Bonds8

About 5-chloro-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)-1-(3,3,3-trifluoropropyl)indole-2-carboxamide

5-chloro-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)-1-(3,3,3-trifluoropropyl)indole-2-carboxamide (PubChem CID 58132238) has the molecular formula C24H20ClF3N4O6S2 and a molecular weight of 617.03 g/mol. Its IUPAC name is 5-chloro-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)-1-(3,3,3-trifluoropropyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)-1-(3,3,3-trifluoropropyl)indole-2-carboxamide
PubChem CID58132238
Molecular FormulaC24H20ClF3N4O6S2
Molecular Weight617.03 g/mol
Exact Mass616.05
IUPAC Name5-chloro-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)-1-(3,3,3-trifluoropropyl)indole-2-carboxamide
SMILESCS(=O)(=O)Nc1cccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2CCC(F)(F)F)c1
InChIInChI=1S/C24H20ClF3N4O6S2/c1-39(35,36)30-15-4-2-5-16(13-15)40(37,38)31-23(34)21-20(17-6-3-10-29-22(17)33)18-12-14(25)7-8-19(18)32(21)11-9-24(26,27)28/h2-8,10,12-13,30H,9,11H2,1H3,(H,29,33)(H,31,34)
InChIKeyMSOIFUGTASNXSB-UHFFFAOYSA-N
XLogP4.09
TPSA147.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500617.03
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)-1-(3,3,3-trifluoropropyl)indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)-1-(3,3,3-trifluoropropyl)indole-2-carboxamide (CID 58132238) is 5-chloro-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)-1-(3,3,3-trifluoropropyl)indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)-1-(3,3,3-trifluoropropyl)indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)-1-(3,3,3-trifluoropropyl)indole-2-carboxamide is CS(=O)(=O)Nc1cccc(S(=O)(=O)NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(Cl)ccc3n2CCC(F)(F)F)c1.
What is the InChIKey of 5-chloro-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)-1-(3,3,3-trifluoropropyl)indole-2-carboxamide?
The InChIKey is MSOIFUGTASNXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N4O6S2/c1-39(35,36)30-15-4-2-5-16(13-15)40(37,38)31-23(34)21-20(17-6-3-10-29-22(17)33)18-12-14(25)7-8-19(18)32(21)11-9-24(26,27)28/h2-8,10,12-13,30H,9,11H2,1H3,(H,29,33)(H,31,34).
What are the key properties of 5-chloro-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)-1-(3,3,3-trifluoropropyl)indole-2-carboxamide?
5-chloro-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)-1-(3,3,3-trifluoropropyl)indole-2-carboxamide has a molecular weight of 617.03 g/mol, XLogP of 4.09, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)-1-(3,3,3-trifluoropropyl)indole-2-carboxamide is sourced from PubChem (CID 58132238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).