2-[2-(cyclohexen-1-yl)-N-methylsulfonylanilino]acetic acid

C15H19NO4S — CID 156598485

IUPAC2-[2-(cyclohexen-1-yl)-N-methylsulfonylanilino]acetic acid
SMILESCS(=O)(=O)N(CC(=O)O)c1ccccc1C1=CCCCC1
InChIInChI=1S/C15H19NO4S/c1-21(19,20)16(11-15(17)18)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h5-7,9-10H,2-4,8,11H2,1H3,(H,17,18)
InChIKeyYFZNMGVGBCDHIT-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.49
Rot. Bonds5

About 2-[2-(cyclohexen-1-yl)-N-methylsulfonylanilino]acetic acid

2-[2-(cyclohexen-1-yl)-N-methylsulfonylanilino]acetic acid (PubChem CID 156598485) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)-N-methylsulfonylanilino]acetic acid.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)-N-methylsulfonylanilino]acetic acid
PubChem CID156598485
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name2-[2-(cyclohexen-1-yl)-N-methylsulfonylanilino]acetic acid
SMILESCS(=O)(=O)N(CC(=O)O)c1ccccc1C1=CCCCC1
InChIInChI=1S/C15H19NO4S/c1-21(19,20)16(11-15(17)18)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h5-7,9-10H,2-4,8,11H2,1H3,(H,17,18)
InChIKeyYFZNMGVGBCDHIT-UHFFFAOYSA-N
XLogP2.49
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexen-1-ylmethyl)-4-(N-methylsulfonyl-2-phenylanilino)butanamide
CID 100501037
2-(2,3-dimethyl-N-methylsulfonylanilino)acetic acid
CID 975035
2-[1,2-dihydroacenaphthylen-5-yl(methylsulfonyl)amino]acetic acid
CID 112758068
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 2175357
1-(2-phenylphenyl)cycloheptene
CID 71332036
2-amino-2-cyclohexylacetic acid;(2S)-2-amino-2-cyclopropylacetic acid;2-(2-fluoro-N-methylsulfonylanilino)acetic acid;2-(4-fluoro-N-methylsulfonylanilino)acetic acid
CID 174885773
1-(cyclohexen-1-yl)-2-ethynylbenzene
CID 175141580
(1E)-1-(2-chlorophenyl)cyclodecene
CID 165358965
4-(cyclohexen-1-yl)-3-ethylbenzoic acid
CID 59316804
3-(2-bromo-N-methylsulfonylanilino)propanoic acid
CID 50890506
2-(N-methyl-2-methylsulfonylanilino)acetic acid
CID 43453480
N-benzyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 1361405

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)-N-methylsulfonylanilino]acetic acid?
The IUPAC name of 2-[2-(cyclohexen-1-yl)-N-methylsulfonylanilino]acetic acid (CID 156598485) is 2-[2-(cyclohexen-1-yl)-N-methylsulfonylanilino]acetic acid.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)-N-methylsulfonylanilino]acetic acid?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)-N-methylsulfonylanilino]acetic acid is CS(=O)(=O)N(CC(=O)O)c1ccccc1C1=CCCCC1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)-N-methylsulfonylanilino]acetic acid?
The InChIKey is YFZNMGVGBCDHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-21(19,20)16(11-15(17)18)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h5-7,9-10H,2-4,8,11H2,1H3,(H,17,18).
What are the key properties of 2-[2-(cyclohexen-1-yl)-N-methylsulfonylanilino]acetic acid?
2-[2-(cyclohexen-1-yl)-N-methylsulfonylanilino]acetic acid has a molecular weight of 309.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)-N-methylsulfonylanilino]acetic acid is sourced from PubChem (CID 156598485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).