1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)urea

C16H22N2O3S — CID 9953

IUPAC1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)urea
SMILESO=C(NC1CCCCC1)NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H22N2O3S/c19-16(17-14-7-2-1-3-8-14)18-22(20,21)15-10-9-12-5-4-6-13(12)11-15/h9-11,14H,1-8H2,(H2,17,18,19)
InChIKeyNFRPNQDSKJJQGV-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.50
Rot. Bonds3

About 1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)urea

1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)urea (PubChem CID 9953) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)urea
PubChem CID9953
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)urea
SMILESO=C(NC1CCCCC1)NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H22N2O3S/c19-16(17-14-7-2-1-3-8-14)18-22(20,21)15-10-9-12-5-4-6-13(12)11-15/h9-11,14H,1-8H2,(H2,17,18,19)
InChIKeyNFRPNQDSKJJQGV-UHFFFAOYSA-N
XLogP2.50
TPSA75.27 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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Glycyclamide
CID 12628
4-(2-((Cyclohexylcarbamoyl)amino)ethyl)benzenesulfonamide
CID 841429
N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)acetamide
CID 11414131
N-((2R)-5-(aminosulfonyl)-2,3-dihydro-1H-inden-2-yl)-2-propylpentanamide
CID 23653514
Tolpentamide
CID 3083671
2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide
CID 11537386
2-Cyclohexylamido-5-sulfonamidoindane
CID 11623958
2-Nonylamido-5-sulfonamidoindane
CID 11660633
Glyoctamide
CID 13953
2-Butylamido-5-sulfonamidoindane
CID 11529486
2-Propylamido-5-sulfonamidoindane
CID 11536481
2-Ethylamido-5-sulfonamidoindane
CID 11543564

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)urea (CID 9953) is 1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)urea is O=C(NC1CCCCC1)NS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)urea?
The InChIKey is NFRPNQDSKJJQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c19-16(17-14-7-2-1-3-8-14)18-22(20,21)15-10-9-12-5-4-6-13(12)11-15/h9-11,14H,1-8H2,(H2,17,18,19).
What are the key properties of 1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)urea?
1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)urea has a molecular weight of 322.43 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)urea is sourced from PubChem (CID 9953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).