4-(cyclopropylamino)-3-(2-methylpropylsulfamoyl)benzoic acid

C14H20N2O4S — CID 99977705

IUPAC4-(cyclopropylamino)-3-(2-methylpropylsulfamoyl)benzoic acid
SMILESCC(C)CNS(=O)(=O)c1cc(C(=O)O)ccc1NC1CC1
InChIInChI=1S/C14H20N2O4S/c1-9(2)8-15-21(19,20)13-7-10(14(17)18)3-6-12(13)16-11-4-5-11/h3,6-7,9,11,15-16H,4-5,8H2,1-2H3,(H,17,18)
InChIKeyWDIHCOGALYKTQZ-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.89
Rot. Bonds7

About 4-(cyclopropylamino)-3-(2-methylpropylsulfamoyl)benzoic acid

4-(cyclopropylamino)-3-(2-methylpropylsulfamoyl)benzoic acid (PubChem CID 99977705) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-(cyclopropylamino)-3-(2-methylpropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(cyclopropylamino)-3-(2-methylpropylsulfamoyl)benzoic acid
PubChem CID99977705
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4-(cyclopropylamino)-3-(2-methylpropylsulfamoyl)benzoic acid
SMILESCC(C)CNS(=O)(=O)c1cc(C(=O)O)ccc1NC1CC1
InChIInChI=1S/C14H20N2O4S/c1-9(2)8-15-21(19,20)13-7-10(14(17)18)3-6-12(13)16-11-4-5-11/h3,6-7,9,11,15-16H,4-5,8H2,1-2H3,(H,17,18)
InChIKeyWDIHCOGALYKTQZ-UHFFFAOYSA-N
XLogP1.89
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopentylamino)-3-(propan-2-ylsulfamoyl)benzoic acid
CID 99977473
3-[[(2S)-butan-2-yl]sulfamoyl]-4-(cyclohexylamino)benzoic acid
CID 99977841
3-(butylsulfamoyl)-4-(cyclohexylamino)benzoic acid
CID 99977589
4-(butylamino)-3-(2-methylpropylsulfamoyl)benzoic acid
CID 99977684
3-(benzylsulfamoyl)-4-(cyclopentylamino)benzoic acid
CID 99978998
4-(cyclopentylamino)-3-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99981122
4-(cyclopentylamino)-3-(2-phenylethylsulfamoyl)benzoic acid
CID 99979327
3-(tert-butylsulfamoyl)-4-(2-methylpropylamino)benzoic acid
CID 99977977
4-[[(2S)-butan-2-yl]amino]-3-(cyclopentylsulfamoyl)benzoic acid
CID 99978274
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819
3-(cyclohexylsulfamoyl)-4-(ethylamino)benzoic acid
CID 99988461
3-fluoro-4-methyl-5-(2-methylpropylsulfamoyl)benzoic acid
CID 43510378

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-3-(2-methylpropylsulfamoyl)benzoic acid?
The IUPAC name of 4-(cyclopropylamino)-3-(2-methylpropylsulfamoyl)benzoic acid (CID 99977705) is 4-(cyclopropylamino)-3-(2-methylpropylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(cyclopropylamino)-3-(2-methylpropylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(cyclopropylamino)-3-(2-methylpropylsulfamoyl)benzoic acid is CC(C)CNS(=O)(=O)c1cc(C(=O)O)ccc1NC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-3-(2-methylpropylsulfamoyl)benzoic acid?
The InChIKey is WDIHCOGALYKTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-9(2)8-15-21(19,20)13-7-10(14(17)18)3-6-12(13)16-11-4-5-11/h3,6-7,9,11,15-16H,4-5,8H2,1-2H3,(H,17,18).
What are the key properties of 4-(cyclopropylamino)-3-(2-methylpropylsulfamoyl)benzoic acid?
4-(cyclopropylamino)-3-(2-methylpropylsulfamoyl)benzoic acid has a molecular weight of 312.39 g/mol, XLogP of 1.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-3-(2-methylpropylsulfamoyl)benzoic acid is sourced from PubChem (CID 99977705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).