2-[benzenesulfonyl(methyl)amino]-N-cycloheptylacetamide

C16H24N2O3S — CID 892265

IUPAC2-[benzenesulfonyl(methyl)amino]-N-cycloheptylacetamide
SMILESCN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H24N2O3S/c1-18(22(20,21)15-11-7-4-8-12-15)13-16(19)17-14-9-5-2-3-6-10-14/h4,7-8,11-12,14H,2-3,5-6,9-10,13H2,1H3,(H,17,19)
InChIKeyPTPUBTNYJPXIIM-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.15
Rot. Bonds5

About 2-[benzenesulfonyl(methyl)amino]-N-cycloheptylacetamide

2-[benzenesulfonyl(methyl)amino]-N-cycloheptylacetamide (PubChem CID 892265) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-cycloheptylacetamide
PubChem CID892265
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-cycloheptylacetamide
SMILESCN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H24N2O3S/c1-18(22(20,21)15-11-7-4-8-12-15)13-16(19)17-14-9-5-2-3-6-10-14/h4,7-8,11-12,14H,2-3,5-6,9-10,13H2,1H3,(H,17,19)
InChIKeyPTPUBTNYJPXIIM-UHFFFAOYSA-N
XLogP2.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-cycloheptylacetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-cycloheptylacetamide (CID 892265) is 2-[benzenesulfonyl(methyl)amino]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-cycloheptylacetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-cycloheptylacetamide is CN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-cycloheptylacetamide?
The InChIKey is PTPUBTNYJPXIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-18(22(20,21)15-11-7-4-8-12-15)13-16(19)17-14-9-5-2-3-6-10-14/h4,7-8,11-12,14H,2-3,5-6,9-10,13H2,1H3,(H,17,19).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-cycloheptylacetamide?
2-[benzenesulfonyl(methyl)amino]-N-cycloheptylacetamide has a molecular weight of 324.45 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-cycloheptylacetamide is sourced from PubChem (CID 892265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).