3-acetyl-5-chloro-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-2-carboxamide

C20H19ClN2O4S — CID 11553523

IUPAC3-acetyl-5-chloro-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-2-carboxamide
SMILESCC(=O)c1c(C(=O)N(C)C)n(S(=O)(=O)c2ccc(C)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C20H19ClN2O4S/c1-12-5-8-15(9-6-12)28(26,27)23-17-10-7-14(21)11-16(17)18(13(2)24)19(23)20(25)22(3)4/h5-11H,1-4H3
InChIKeyLALOZSQSGLXLKC-UHFFFAOYSA-N
MW418.90 g/mol
LogP3.74
Rot. Bonds4

About 3-acetyl-5-chloro-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-2-carboxamide

3-acetyl-5-chloro-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-2-carboxamide (PubChem CID 11553523) has the molecular formula C20H19ClN2O4S and a molecular weight of 418.90 g/mol. Its IUPAC name is 3-acetyl-5-chloro-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-2-carboxamide.

Molecular Properties

Compound Name3-acetyl-5-chloro-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-2-carboxamide
PubChem CID11553523
Molecular FormulaC20H19ClN2O4S
Molecular Weight418.90 g/mol
Exact Mass418.08
IUPAC Name3-acetyl-5-chloro-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-2-carboxamide
SMILESCC(=O)c1c(C(=O)N(C)C)n(S(=O)(=O)c2ccc(C)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C20H19ClN2O4S/c1-12-5-8-15(9-6-12)28(26,27)23-17-10-7-14(21)11-16(17)18(13(2)24)19(23)20(25)22(3)4/h5-11H,1-4H3
InChIKeyLALOZSQSGLXLKC-UHFFFAOYSA-N
XLogP3.74
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-chloro-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-2-carboxamide?
The IUPAC name of 3-acetyl-5-chloro-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-2-carboxamide (CID 11553523) is 3-acetyl-5-chloro-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-2-carboxamide.
What is the SMILES notation for 3-acetyl-5-chloro-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-2-carboxamide?
The canonical SMILES for 3-acetyl-5-chloro-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-2-carboxamide is CC(=O)c1c(C(=O)N(C)C)n(S(=O)(=O)c2ccc(C)cc2)c2ccc(Cl)cc12.
What is the InChIKey of 3-acetyl-5-chloro-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-2-carboxamide?
The InChIKey is LALOZSQSGLXLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4S/c1-12-5-8-15(9-6-12)28(26,27)23-17-10-7-14(21)11-16(17)18(13(2)24)19(23)20(25)22(3)4/h5-11H,1-4H3.
What are the key properties of 3-acetyl-5-chloro-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-2-carboxamide?
3-acetyl-5-chloro-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-2-carboxamide has a molecular weight of 418.90 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-chloro-N,N-dimethyl-1-(4-methylphenyl)sulfonylindole-2-carboxamide is sourced from PubChem (CID 11553523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).