N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)cyclohexanecarboxamide

C16H22N2O3S — CID 11659798

IUPACN-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)cyclohexanecarboxamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCC2NC(=O)C1CCCCC1
InChIInChI=1S/C16H22N2O3S/c17-22(20,21)13-7-8-14-12(10-13)6-9-15(14)18-16(19)11-4-2-1-3-5-11/h7-8,10-11,15H,1-6,9H2,(H,18,19)(H2,17,20,21)
InChIKeyXUDBTOFDMYBQSW-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.02
Rot. Bonds3

About N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)cyclohexanecarboxamide

N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)cyclohexanecarboxamide (PubChem CID 11659798) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)cyclohexanecarboxamide
PubChem CID11659798
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)cyclohexanecarboxamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCC2NC(=O)C1CCCCC1
InChIInChI=1S/C16H22N2O3S/c17-22(20,21)13-7-8-14-12(10-13)6-9-15(14)18-16(19)11-4-2-1-3-5-11/h7-8,10-11,15H,1-6,9H2,(H,18,19)(H2,17,20,21)
InChIKeyXUDBTOFDMYBQSW-UHFFFAOYSA-N
XLogP2.02
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)cyclohexanecarboxamide (CID 11659798) is N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)cyclohexanecarboxamide is NS(=O)(=O)c1ccc2c(c1)CCC2NC(=O)C1CCCCC1.
What is the InChIKey of N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)cyclohexanecarboxamide?
The InChIKey is XUDBTOFDMYBQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c17-22(20,21)13-7-8-14-12(10-13)6-9-15(14)18-16(19)11-4-2-1-3-5-11/h7-8,10-11,15H,1-6,9H2,(H,18,19)(H2,17,20,21).
What are the key properties of N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)cyclohexanecarboxamide?
N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)cyclohexanecarboxamide has a molecular weight of 322.43 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)cyclohexanecarboxamide is sourced from PubChem (CID 11659798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).