2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid

C13H17NO4S — CID 113463674

IUPAC2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid
SMILESCC1CC1CNS(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C13H17NO4S/c1-9-6-11(9)8-14-19(17,18)12-4-2-10(3-5-12)7-13(15)16/h2-5,9,11,14H,6-8H2,1H3,(H,15,16)
InChIKeySPVHYFSMSPCANX-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.25
Rot. Bonds6

About 2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid

2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid (PubChem CID 113463674) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid
PubChem CID113463674
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid
SMILESCC1CC1CNS(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C13H17NO4S/c1-9-6-11(9)8-14-19(17,18)12-4-2-10(3-5-12)7-13(15)16/h2-5,9,11,14H,6-8H2,1H3,(H,15,16)
InChIKeySPVHYFSMSPCANX-UHFFFAOYSA-N
XLogP1.25
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 47190253
2-[4-(oxolan-3-ylmethylsulfamoyl)phenyl]acetic acid
CID 60920003
2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid
CID 114543628
2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid
CID 64568245
2-[4-[(2-fluoro-2-methylpropyl)sulfamoyl]phenyl]acetic acid
CID 146137544
2-[4-[(3-methoxy-3-oxopropyl)sulfamoyl]phenyl]acetic acid
CID 43665896
2-[4-(2-methylbutylsulfamoyl)phenyl]acetic acid
CID 62694334
2-ethoxy-5-[(2-methylcyclopropyl)methylsulfamoyl]benzoic acid
CID 104654511
4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid
CID 97313462
2-[4-[2-(carbamoylamino)ethylsulfamoyl]phenyl]acetic acid
CID 83116835
1-[[(1S,2R)-2-methylcyclopropyl]methyl]-3-[[4-(methylsulfamoyl)phenyl]methyl]urea
CID 94183108
2-[4-(2-cyanopropylsulfamoyl)phenyl]acetic acid
CID 62668415

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid (CID 113463674) is 2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid is CC1CC1CNS(=O)(=O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid?
The InChIKey is SPVHYFSMSPCANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-9-6-11(9)8-14-19(17,18)12-4-2-10(3-5-12)7-13(15)16/h2-5,9,11,14H,6-8H2,1H3,(H,15,16).
What are the key properties of 2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid?
2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid has a molecular weight of 283.35 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylcyclopropyl)methylsulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 113463674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).