2-[benzenesulfonyl(cyclohexyl)amino]acetic acid

C14H19NO4S — CID 1282427

IUPAC2-[benzenesulfonyl(cyclohexyl)amino]acetic acid
SMILESO=C(O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H19NO4S/c16-14(17)11-15(12-7-3-1-4-8-12)20(18,19)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,16,17)
InChIKeyHNYMBFPJOYKJBH-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.09
Rot. Bonds5

About 2-[benzenesulfonyl(cyclohexyl)amino]acetic acid

2-[benzenesulfonyl(cyclohexyl)amino]acetic acid (PubChem CID 1282427) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[benzenesulfonyl(cyclohexyl)amino]acetic acid.

Molecular Properties

Compound Name2-[benzenesulfonyl(cyclohexyl)amino]acetic acid
PubChem CID1282427
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-[benzenesulfonyl(cyclohexyl)amino]acetic acid
SMILESO=C(O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H19NO4S/c16-14(17)11-15(12-7-3-1-4-8-12)20(18,19)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,16,17)
InChIKeyHNYMBFPJOYKJBH-UHFFFAOYSA-N
XLogP2.09
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(cyclohexyl)amino]acetic acid?
The IUPAC name of 2-[benzenesulfonyl(cyclohexyl)amino]acetic acid (CID 1282427) is 2-[benzenesulfonyl(cyclohexyl)amino]acetic acid.
What is the SMILES notation for 2-[benzenesulfonyl(cyclohexyl)amino]acetic acid?
The canonical SMILES for 2-[benzenesulfonyl(cyclohexyl)amino]acetic acid is O=C(O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(cyclohexyl)amino]acetic acid?
The InChIKey is HNYMBFPJOYKJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c16-14(17)11-15(12-7-3-1-4-8-12)20(18,19)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,16,17).
What are the key properties of 2-[benzenesulfonyl(cyclohexyl)amino]acetic acid?
2-[benzenesulfonyl(cyclohexyl)amino]acetic acid has a molecular weight of 297.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(cyclohexyl)amino]acetic acid is sourced from PubChem (CID 1282427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).