4-bromo-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide

C17H16BrNO3S — CID 135309885

IUPAC4-bromo-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)C1CCc2c(Br)cccc21
InChIInChI=1S/C17H16BrNO3S/c1-11-5-2-3-8-16(11)23(21,22)19-17(20)14-10-9-13-12(14)6-4-7-15(13)18/h2-8,14H,9-10H2,1H3,(H,19,20)
InChIKeyFGCCIAQXMZVLSJ-UHFFFAOYSA-N
MW394.29 g/mol
LogP3.29
Rot. Bonds3

About 4-bromo-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide

4-bromo-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 135309885) has the molecular formula C17H16BrNO3S and a molecular weight of 394.29 g/mol. Its IUPAC name is 4-bromo-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID135309885
Molecular FormulaC17H16BrNO3S
Molecular Weight394.29 g/mol
Exact Mass393.00
IUPAC Name4-bromo-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)C1CCc2c(Br)cccc21
InChIInChI=1S/C17H16BrNO3S/c1-11-5-2-3-8-16(11)23(21,22)19-17(20)14-10-9-13-12(14)6-4-7-15(13)18/h2-8,14H,9-10H2,1H3,(H,19,20)
InChIKeyFGCCIAQXMZVLSJ-UHFFFAOYSA-N
XLogP3.29
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of 4-bromo-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide (CID 135309885) is 4-bromo-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for 4-bromo-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide is Cc1ccccc1S(=O)(=O)NC(=O)C1CCc2c(Br)cccc21.
What is the InChIKey of 4-bromo-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is FGCCIAQXMZVLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO3S/c1-11-5-2-3-8-16(11)23(21,22)19-17(20)14-10-9-13-12(14)6-4-7-15(13)18/h2-8,14H,9-10H2,1H3,(H,19,20).
What are the key properties of 4-bromo-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
4-bromo-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 394.29 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 135309885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).