5-chloro-1-[(2,3-difluorophenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide

C23H17ClF2N2O4S — CID 58132789

IUPAC5-chloro-1-[(2,3-difluorophenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide
SMILESCS(=O)(=O)NC(=O)c1c(C2=CC=CCC2=O)c2cc(Cl)ccc2n1Cc1cccc(F)c1F
InChIInChI=1S/C23H17ClF2N2O4S/c1-33(31,32)27-23(30)22-20(15-6-2-3-8-19(15)29)16-11-14(24)9-10-18(16)28(22)12-13-5-4-7-17(25)21(13)26/h2-7,9-11H,8,12H2,1H3,(H,27,30)
InChIKeyJQMZUUVRUUDADK-UHFFFAOYSA-N
MW490.92 g/mol
LogP4.22
Rot. Bonds5

About 5-chloro-1-[(2,3-difluorophenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide

5-chloro-1-[(2,3-difluorophenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide (PubChem CID 58132789) has the molecular formula C23H17ClF2N2O4S and a molecular weight of 490.92 g/mol. Its IUPAC name is 5-chloro-1-[(2,3-difluorophenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2,3-difluorophenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide
PubChem CID58132789
Molecular FormulaC23H17ClF2N2O4S
Molecular Weight490.92 g/mol
Exact Mass490.06
IUPAC Name5-chloro-1-[(2,3-difluorophenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide
SMILESCS(=O)(=O)NC(=O)c1c(C2=CC=CCC2=O)c2cc(Cl)ccc2n1Cc1cccc(F)c1F
InChIInChI=1S/C23H17ClF2N2O4S/c1-33(31,32)27-23(30)22-20(15-6-2-3-8-19(15)29)16-11-14(24)9-10-18(16)28(22)12-13-5-4-7-17(25)21(13)26/h2-7,9-11H,8,12H2,1H3,(H,27,30)
InChIKeyJQMZUUVRUUDADK-UHFFFAOYSA-N
XLogP4.22
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.92
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)-1-[(2,3,4-trifluorophenyl)methyl]indole-2-carboxamide
CID 58132480
1-[(3-bromophenyl)methyl]-5-chloro-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide
CID 58132242
5-chloro-1-[[4-(5-methyl-3-oxohexyl)phenyl]methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide
CID 58132945
5-chloro-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)-1-(piperidin-4-ylmethyl)indole-2-carboxamide
CID 58132684
5-ethyl-1-[[2-fluoro-5-(2-oxopropyl)phenyl]methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide
CID 58132751
N-benzylsulfonyl-5-chloro-1-[(2,5-difluorophenyl)methyl]-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide;methane
CID 162260721
5-chloro-N-methylsulfonyl-1-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide
CID 58132339
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide
CID 58132929
5-chloro-N-(4-cyanophenyl)sulfonyl-1-[(2,5-difluorophenyl)methyl]-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide
CID 58132596
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
5-chloro-1-methyl-3-(6-oxocyclohexa-1,3-dien-1-yl)-N-[3-(2-oxopropyl)phenyl]sulfonylindole-2-carboxamide
CID 58132453
1-[[3-(methanesulfonamido)phenyl]methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)-5-(trifluoromethoxy)indole-2-carboxamide
CID 58132478

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2,3-difluorophenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide?
The IUPAC name of 5-chloro-1-[(2,3-difluorophenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide (CID 58132789) is 5-chloro-1-[(2,3-difluorophenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide.
What is the SMILES notation for 5-chloro-1-[(2,3-difluorophenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide?
The canonical SMILES for 5-chloro-1-[(2,3-difluorophenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide is CS(=O)(=O)NC(=O)c1c(C2=CC=CCC2=O)c2cc(Cl)ccc2n1Cc1cccc(F)c1F.
What is the InChIKey of 5-chloro-1-[(2,3-difluorophenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide?
The InChIKey is JQMZUUVRUUDADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF2N2O4S/c1-33(31,32)27-23(30)22-20(15-6-2-3-8-19(15)29)16-11-14(24)9-10-18(16)28(22)12-13-5-4-7-17(25)21(13)26/h2-7,9-11H,8,12H2,1H3,(H,27,30).
What are the key properties of 5-chloro-1-[(2,3-difluorophenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide?
5-chloro-1-[(2,3-difluorophenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide has a molecular weight of 490.92 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2,3-difluorophenyl)methyl]-N-methylsulfonyl-3-(6-oxocyclohexa-1,3-dien-1-yl)indole-2-carboxamide is sourced from PubChem (CID 58132789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).