4-(1-methoxypropan-2-ylamino)-3-sulfamoylbenzoic acid

C11H16N2O5S — CID 132649855

IUPAC4-(1-methoxypropan-2-ylamino)-3-sulfamoylbenzoic acid
SMILESCOCC(C)Nc1ccc(C(=O)O)cc1S(N)(=O)=O
InChIInChI=1S/C11H16N2O5S/c1-7(6-18-2)13-9-4-3-8(11(14)15)5-10(9)19(12,16)17/h3-5,7,13H,6H2,1-2H3,(H,14,15)(H2,12,16,17)
InChIKeyIHJKJNWOVWWUFP-UHFFFAOYSA-N
MW288.32 g/mol
LogP0.48
Rot. Bonds6

About 4-(1-methoxypropan-2-ylamino)-3-sulfamoylbenzoic acid

4-(1-methoxypropan-2-ylamino)-3-sulfamoylbenzoic acid (PubChem CID 132649855) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-(1-methoxypropan-2-ylamino)-3-sulfamoylbenzoic acid.

Molecular Properties

Compound Name4-(1-methoxypropan-2-ylamino)-3-sulfamoylbenzoic acid
PubChem CID132649855
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name4-(1-methoxypropan-2-ylamino)-3-sulfamoylbenzoic acid
SMILESCOCC(C)Nc1ccc(C(=O)O)cc1S(N)(=O)=O
InChIInChI=1S/C11H16N2O5S/c1-7(6-18-2)13-9-4-3-8(11(14)15)5-10(9)19(12,16)17/h3-5,7,13H,6H2,1-2H3,(H,14,15)(H2,12,16,17)
InChIKeyIHJKJNWOVWWUFP-UHFFFAOYSA-N
XLogP0.48
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methoxypropan-2-ylamino)-3-(propan-2-ylsulfamoyl)benzoic acid
CID 132651455
3-(tert-butylsulfamoyl)-4-(1-methoxypropan-2-ylamino)benzoic acid
CID 132652548
3-[[(2R)-butan-2-yl]sulfamoyl]-4-[[(2S)-1-methoxypropan-2-yl]amino]benzoic acid
CID 99977956
3-(butan-2-ylsulfamoyl)-4-(1-methoxypropan-2-ylamino)benzoic acid
CID 132652557
4-[[(2S)-1-methoxypropan-2-yl]amino]-3-(3-methoxypropylsulfamoyl)benzoic acid
CID 99978969
3-(benzylsulfamoyl)-4-[[(2S)-1-methoxypropan-2-yl]amino]benzoic acid
CID 99979084
3-(butylsulfamoyl)-4-(1-methoxypropan-2-ylamino)benzoic acid
CID 132652547
4-(1-methoxypropan-2-ylamino)-3-(prop-2-enylsulfamoyl)benzoic acid
CID 132651311
3-(3-hydroxypropylsulfamoyl)-4-(1-methoxypropan-2-ylamino)benzoic acid
CID 132652725
4-[[(2S)-1-methoxypropan-2-yl]amino]-3-(3-propan-2-yloxypropylsulfamoyl)benzoic acid
CID 99980434
3-(cycloheptylsulfamoyl)-4-[[(2S)-1-methoxypropan-2-yl]amino]benzoic acid
CID 99978489
2-(1-methoxypropan-2-ylamino)benzenesulfonamide
CID 43454220

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypropan-2-ylamino)-3-sulfamoylbenzoic acid?
The IUPAC name of 4-(1-methoxypropan-2-ylamino)-3-sulfamoylbenzoic acid (CID 132649855) is 4-(1-methoxypropan-2-ylamino)-3-sulfamoylbenzoic acid.
What is the SMILES notation for 4-(1-methoxypropan-2-ylamino)-3-sulfamoylbenzoic acid?
The canonical SMILES for 4-(1-methoxypropan-2-ylamino)-3-sulfamoylbenzoic acid is COCC(C)Nc1ccc(C(=O)O)cc1S(N)(=O)=O.
What is the InChIKey of 4-(1-methoxypropan-2-ylamino)-3-sulfamoylbenzoic acid?
The InChIKey is IHJKJNWOVWWUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-7(6-18-2)13-9-4-3-8(11(14)15)5-10(9)19(12,16)17/h3-5,7,13H,6H2,1-2H3,(H,14,15)(H2,12,16,17).
What are the key properties of 4-(1-methoxypropan-2-ylamino)-3-sulfamoylbenzoic acid?
4-(1-methoxypropan-2-ylamino)-3-sulfamoylbenzoic acid has a molecular weight of 288.32 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropan-2-ylamino)-3-sulfamoylbenzoic acid is sourced from PubChem (CID 132649855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).