1-benzyl-N-methylsulfonylindole-5-carboxamide

C17H16N2O3S — CID 171343054

IUPAC1-benzyl-N-methylsulfonylindole-5-carboxamide
SMILESCS(=O)(=O)NC(=O)c1ccc2c(ccn2Cc2ccccc2)c1
InChIInChI=1S/C17H16N2O3S/c1-23(21,22)18-17(20)15-7-8-16-14(11-15)9-10-19(16)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,18,20)
InChIKeyLUBDJZXEHPPMEC-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.38
Rot. Bonds4

About 1-benzyl-N-methylsulfonylindole-5-carboxamide

1-benzyl-N-methylsulfonylindole-5-carboxamide (PubChem CID 171343054) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-benzyl-N-methylsulfonylindole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methylsulfonylindole-5-carboxamide
PubChem CID171343054
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name1-benzyl-N-methylsulfonylindole-5-carboxamide
SMILESCS(=O)(=O)NC(=O)c1ccc2c(ccn2Cc2ccccc2)c1
InChIInChI=1S/C17H16N2O3S/c1-23(21,22)18-17(20)15-7-8-16-14(11-15)9-10-19(16)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,18,20)
InChIKeyLUBDJZXEHPPMEC-UHFFFAOYSA-N
XLogP2.38
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-methylsulfonylpyrrole-2-carboxamide
CID 146154244
1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide
CID 90075227
benzyl N-[3-[[5-[(2-methylphenyl)sulfonylcarbamoyl]indol-1-yl]methyl]phenyl]carbamate
CID 19780418
2-(1-benzylindol-5-yl)acetic acid
CID 71441824
1-[(4-methoxyphenyl)methyl]indole-5-carboxylic acid
CID 63748947
1-benzyl-N'-hydroxyindole-5-carboximidamide
CID 107920718
2-benzyl-N-methylsulfonyl-1,3-dioxoisoindole-5-carboxamide
CID 146154199
[(aminodiazenyl)-(1-benzylindol-5-yl)methylidene]azanium
CID 163765370
1-[(4-chloro-3-fluorophenyl)methyl]-N-phenylindole-5-carboxamide
CID 145364579
1-[(4-chlorophenyl)methyl]indole-5-carboxylic acid
CID 63748052
1-benzyl-N'-(4-oxo-3H-quinazolin-2-yl)indole-5-carbohydrazide
CID 154840665
1-[(4-iodophenyl)methyl]indole-5-carboxylic acid
CID 65477829

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methylsulfonylindole-5-carboxamide?
The IUPAC name of 1-benzyl-N-methylsulfonylindole-5-carboxamide (CID 171343054) is 1-benzyl-N-methylsulfonylindole-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-methylsulfonylindole-5-carboxamide?
The canonical SMILES for 1-benzyl-N-methylsulfonylindole-5-carboxamide is CS(=O)(=O)NC(=O)c1ccc2c(ccn2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-methylsulfonylindole-5-carboxamide?
The InChIKey is LUBDJZXEHPPMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-23(21,22)18-17(20)15-7-8-16-14(11-15)9-10-19(16)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,18,20).
What are the key properties of 1-benzyl-N-methylsulfonylindole-5-carboxamide?
1-benzyl-N-methylsulfonylindole-5-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methylsulfonylindole-5-carboxamide is sourced from PubChem (CID 171343054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).