2-[4-[di(propan-2-yl)sulfamoyl]phenyl]acetic acid

C14H21NO4S — CID 164674135

IUPAC2-[4-[di(propan-2-yl)sulfamoyl]phenyl]acetic acid
SMILESCC(C)N(C(C)C)S(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H21NO4S/c1-10(2)15(11(3)4)20(18,19)13-7-5-12(6-8-13)9-14(16)17/h5-8,10-11H,9H2,1-4H3,(H,16,17)
InChIKeyLVNRLLKXHDHGIV-UHFFFAOYSA-N
MW299.39 g/mol
LogP2.12
Rot. Bonds6

About 2-[4-[di(propan-2-yl)sulfamoyl]phenyl]acetic acid

2-[4-[di(propan-2-yl)sulfamoyl]phenyl]acetic acid (PubChem CID 164674135) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-[4-[di(propan-2-yl)sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[di(propan-2-yl)sulfamoyl]phenyl]acetic acid
PubChem CID164674135
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name2-[4-[di(propan-2-yl)sulfamoyl]phenyl]acetic acid
SMILESCC(C)N(C(C)C)S(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H21NO4S/c1-10(2)15(11(3)4)20(18,19)13-7-5-12(6-8-13)9-14(16)17/h5-8,10-11H,9H2,1-4H3,(H,16,17)
InChIKeyLVNRLLKXHDHGIV-UHFFFAOYSA-N
XLogP2.12
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Probenecid
CID 4911
4-((Diethylamino)sulfonyl)benzoic acid
CID 14604
3-(4-Sulfamoylphenyl)propanoic acid
CID 3161908
4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carboxylic acid
CID 98738
1-((4-Methylphenyl)sulfonyl)piperidine-2-carboxylic acid
CID 2928142
4-(Dimethylsulfamoyl)benzoic acid
CID 14572
4-((Dibutylamino)sulfonyl)benzoic acid
CID 11032
4-[(2-Methylpiperidin-1-yl)sulfonyl]benzoic acid
CID 2770975
Probenecid sodium
CID 23662399
4-(Cyclohexyl(methyl)sulfamoyl)benzoic acid
CID 646719
2-(4-Sulfamoylphenyl)acetic acid
CID 6483854
4-{[Cyclohexyl(ethyl)amino]sulfonyl}benzoic acid
CID 891394

Frequently Asked Questions

What is the IUPAC name of 2-[4-[di(propan-2-yl)sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[di(propan-2-yl)sulfamoyl]phenyl]acetic acid (CID 164674135) is 2-[4-[di(propan-2-yl)sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[di(propan-2-yl)sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[di(propan-2-yl)sulfamoyl]phenyl]acetic acid is CC(C)N(C(C)C)S(=O)(=O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[di(propan-2-yl)sulfamoyl]phenyl]acetic acid?
The InChIKey is LVNRLLKXHDHGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-10(2)15(11(3)4)20(18,19)13-7-5-12(6-8-13)9-14(16)17/h5-8,10-11H,9H2,1-4H3,(H,16,17).
What are the key properties of 2-[4-[di(propan-2-yl)sulfamoyl]phenyl]acetic acid?
2-[4-[di(propan-2-yl)sulfamoyl]phenyl]acetic acid has a molecular weight of 299.39 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[di(propan-2-yl)sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 164674135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).