2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid

C13H17NO4S — CID 54945155

IUPAC2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid
SMILESCCc1ccc(S(=O)(=O)N(CC(=O)O)C2CC2)cc1
InChIInChI=1S/C13H17NO4S/c1-2-10-3-7-12(8-4-10)19(17,18)14(9-13(15)16)11-5-6-11/h3-4,7-8,11H,2,5-6,9H2,1H3,(H,15,16)
InChIKeyKYMBTCRTOJTRTC-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.49
Rot. Bonds6

About 2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid

2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid (PubChem CID 54945155) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid
PubChem CID54945155
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid
SMILESCCc1ccc(S(=O)(=O)N(CC(=O)O)C2CC2)cc1
InChIInChI=1S/C13H17NO4S/c1-2-10-3-7-12(8-4-10)19(17,18)14(9-13(15)16)11-5-6-11/h3-4,7-8,11H,2,5-6,9H2,1H3,(H,15,16)
InChIKeyKYMBTCRTOJTRTC-UHFFFAOYSA-N
XLogP1.49
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)amino]acetic acid
CID 60829160
2-[cyclopropyl-(3,4-dimethoxyphenyl)sulfonylamino]acetic acid
CID 60829007
2-[(4-ethylphenyl)sulfonyl-prop-2-enylamino]acetic acid
CID 79261866
2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid
CID 54946257
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(4-ethylphenyl)acetamide
CID 126013240
ethyl 2-[cyclopropyl-(4-methylphenyl)sulfonylamino]acetate
CID 61384357
N-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599587
2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetic acid;hydrochloride
CID 170903356
2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate
CID 2095447
2-[cyclopropyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid
CID 60827715
3-[cyclopropyl-(4-ethoxyphenyl)sulfonylamino]propanoic acid
CID 60718266
N-cyclopentyl-4-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 50776137

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid (CID 54945155) is 2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid is CCc1ccc(S(=O)(=O)N(CC(=O)O)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid?
The InChIKey is KYMBTCRTOJTRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-2-10-3-7-12(8-4-10)19(17,18)14(9-13(15)16)11-5-6-11/h3-4,7-8,11H,2,5-6,9H2,1H3,(H,15,16).
What are the key properties of 2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid?
2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid has a molecular weight of 283.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(4-ethylphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 54945155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).