2-[4-[2-(4-methyl-3-pyridinyl)ethylsulfamoyl]phenyl]acetic acid

C16H18N2O4S — CID 166242151

IUPAC2-[4-[2-(4-methyl-3-pyridinyl)ethylsulfamoyl]phenyl]acetic acid
SMILESCc1ccncc1CCNS(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H18N2O4S/c1-12-6-8-17-11-14(12)7-9-18-23(21,22)15-4-2-13(3-5-15)10-16(19)20/h2-6,8,11,18H,7,9-10H2,1H3,(H,19,20)
InChIKeyDONVWTWPSDPNAK-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.54
Rot. Bonds7

About 2-[4-[2-(4-methyl-3-pyridinyl)ethylsulfamoyl]phenyl]acetic acid

2-[4-[2-(4-methyl-3-pyridinyl)ethylsulfamoyl]phenyl]acetic acid (PubChem CID 166242151) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-[4-[2-(4-methyl-3-pyridinyl)ethylsulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(4-methyl-3-pyridinyl)ethylsulfamoyl]phenyl]acetic acid
PubChem CID166242151
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-[4-[2-(4-methyl-3-pyridinyl)ethylsulfamoyl]phenyl]acetic acid
SMILESCc1ccncc1CCNS(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H18N2O4S/c1-12-6-8-17-11-14(12)7-9-18-23(21,22)15-4-2-13(3-5-15)10-16(19)20/h2-6,8,11,18H,7,9-10H2,1H3,(H,19,20)
InChIKeyDONVWTWPSDPNAK-UHFFFAOYSA-N
XLogP1.54
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid
CID 12945846
4-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114955251
2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid
CID 43665896
2-[4-[2-(carbamoylamino)ethylsulfamoyl]phenyl]acetic acid
CID 83116835
2-[4-(pyrazin-2-ylsulfamoyl)phenyl]acetic acid
CID 43616102
2-[4-(5-methylhexylsulfamoyl)phenyl]acetic acid
CID 115324996
4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid
CID 60915127
2-[2-[2-[(4-methyl-3-pyridinyl)sulfonylamino]ethyl]-1,3-thiazol-4-yl]acetic acid
CID 146092987
2-[4-[(5-hydroxy-4-methylpentyl)sulfamoyl]phenyl]acetic acid
CID 106155951
2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid
CID 64568245
2-[4-[(2-fluoro-2-methylpropyl)sulfamoyl]phenyl]acetic acid
CID 146137544
4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729005

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methyl-3-pyridinyl)ethylsulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-(4-methyl-3-pyridinyl)ethylsulfamoyl]phenyl]acetic acid (CID 166242151) is 2-[4-[2-(4-methyl-3-pyridinyl)ethylsulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-(4-methyl-3-pyridinyl)ethylsulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-(4-methyl-3-pyridinyl)ethylsulfamoyl]phenyl]acetic acid is Cc1ccncc1CCNS(=O)(=O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[2-(4-methyl-3-pyridinyl)ethylsulfamoyl]phenyl]acetic acid?
The InChIKey is DONVWTWPSDPNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-12-6-8-17-11-14(12)7-9-18-23(21,22)15-4-2-13(3-5-15)10-16(19)20/h2-6,8,11,18H,7,9-10H2,1H3,(H,19,20).
What are the key properties of 2-[4-[2-(4-methyl-3-pyridinyl)ethylsulfamoyl]phenyl]acetic acid?
2-[4-[2-(4-methyl-3-pyridinyl)ethylsulfamoyl]phenyl]acetic acid has a molecular weight of 334.40 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methyl-3-pyridinyl)ethylsulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 166242151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).