5-chloro-1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

C24H22ClN3O6S2 — CID 58132395

IUPAC5-chloro-1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCCn1c(C(=O)NS(=O)(=O)c2cccc(CS(C)(=O)=O)c2)c(-c2ccc[nH]c2=O)c2cc(Cl)ccc21
InChIInChI=1S/C24H22ClN3O6S2/c1-3-28-20-10-9-16(25)13-19(20)21(18-8-5-11-26-23(18)29)22(28)24(30)27-36(33,34)17-7-4-6-15(12-17)14-35(2,31)32/h4-13H,3,14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyUBEGSMSCGFOFPN-UHFFFAOYSA-N
MW548.04 g/mol
LogP3.33
Rot. Bonds7

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

5-chloro-1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 58132395) has the molecular formula C24H22ClN3O6S2 and a molecular weight of 548.04 g/mol. Its IUPAC name is 5-chloro-1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID58132395
Molecular FormulaC24H22ClN3O6S2
Molecular Weight548.04 g/mol
Exact Mass547.06
IUPAC Name5-chloro-1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCCn1c(C(=O)NS(=O)(=O)c2cccc(CS(C)(=O)=O)c2)c(-c2ccc[nH]c2=O)c2cc(Cl)ccc21
InChIInChI=1S/C24H22ClN3O6S2/c1-3-28-20-10-9-16(25)13-19(20)21(18-8-5-11-26-23(18)29)22(28)24(30)27-36(33,34)17-7-4-6-15(12-17)14-35(2,31)32/h4-13H,3,14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyUBEGSMSCGFOFPN-UHFFFAOYSA-N
XLogP3.33
TPSA135.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.04
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2,4-difluorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide
CID 58132881
5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25224866
1-[(2-amino-4-pyridinyl)methyl]-N-[3-[bis(methylsulfonyl)amino]phenyl]sulfonyl-5-chloro-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25225831
1-butyl-5-chloro-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 58132925
1-[[3-(tert-butylcarbamoylamino)phenyl]methyl]-5-chloro-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 58132349
1-[(2,4-difluorophenyl)methyl]-5-ethyl-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25225634
1-[[3-(aminomethyl)phenyl]methyl]-5-chloro-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide
CID 58132378
1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(4-fluoro-2-methylphenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 57401092
5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide;5-chloro-1-[(2-chloro-4-pyridinyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]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;5-chloro-1-[[3-(methanesulfonamido)phenyl]methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide
CID 158129895
5-chloro-1-[(2,5-difluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]sulfonylindole-2-carboxamide
CID 87168097
5-chloro-1-[(2-fluoro-5-methylsulfinylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 66821730
1-(1,2,3-benzothiadiazol-5-ylmethyl)-5-chloro-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 58132908

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of 5-chloro-1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 58132395) is 5-chloro-1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for 5-chloro-1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for 5-chloro-1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is CCn1c(C(=O)NS(=O)(=O)c2cccc(CS(C)(=O)=O)c2)c(-c2ccc[nH]c2=O)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is UBEGSMSCGFOFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O6S2/c1-3-28-20-10-9-16(25)13-19(20)21(18-8-5-11-26-23(18)29)22(28)24(30)27-36(33,34)17-7-4-6-15(12-17)14-35(2,31)32/h4-13H,3,14H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 5-chloro-1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
5-chloro-1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 548.04 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 58132395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).