2-(butan-2-ylamino)-5-sulfamoylbenzoic acid

C11H16N2O4S — CID 43088437

IUPAC2-(butan-2-ylamino)-5-sulfamoylbenzoic acid
SMILESCCC(C)Nc1ccc(S(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-3-7(2)13-10-5-4-8(18(12,16)17)6-9(10)11(14)15/h4-7,13H,3H2,1-2H3,(H,14,15)(H2,12,16,17)
InChIKeyRSICNKVVEASNJR-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.24
Rot. Bonds5

About 2-(butan-2-ylamino)-5-sulfamoylbenzoic acid

2-(butan-2-ylamino)-5-sulfamoylbenzoic acid (PubChem CID 43088437) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-5-sulfamoylbenzoic acid.

Molecular Properties

Compound Name2-(butan-2-ylamino)-5-sulfamoylbenzoic acid
PubChem CID43088437
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-(butan-2-ylamino)-5-sulfamoylbenzoic acid
SMILESCCC(C)Nc1ccc(S(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-3-7(2)13-10-5-4-8(18(12,16)17)6-9(10)11(14)15/h4-7,13H,3H2,1-2H3,(H,14,15)(H2,12,16,17)
InChIKeyRSICNKVVEASNJR-UHFFFAOYSA-N
XLogP1.24
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-pentan-2-yl]amino]-5-sulfamoylbenzoic acid
CID 93293868
2-[[(2R)-pentan-2-yl]amino]-5-sulfamoylbenzoic acid
CID 93293867
2-[[(2R)-butan-2-yl]amino]-5-(2-methylpropylsulfamoyl)benzoic acid
CID 99982018
5-amino-2-(butan-2-ylamino)benzoic acid
CID 60988794
2-[[(2S)-butan-2-yl]amino]-5-(propylsulfamoyl)benzoic acid
CID 99981585
2-(butan-2-ylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 132652397
5-(benzylsulfamoyl)-2-[[(2R)-butan-2-yl]amino]benzoic acid
CID 99984205
methyl 2-(pentan-3-ylamino)-5-sulfamoylbenzoate
CID 47146282
2-butan-2-ylsulfanyl-5-sulfamoylbenzoic acid
CID 43322728
2-[methyl(2-methylbutyl)amino]-5-sulfamoylbenzoic acid
CID 43296175
2-(butan-2-ylamino)-5-(trifluoromethyl)benzoic acid
CID 62711635
5-amino-2-(butan-2-ylamino)benzamide
CID 61311336

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-5-sulfamoylbenzoic acid?
The IUPAC name of 2-(butan-2-ylamino)-5-sulfamoylbenzoic acid (CID 43088437) is 2-(butan-2-ylamino)-5-sulfamoylbenzoic acid.
What is the SMILES notation for 2-(butan-2-ylamino)-5-sulfamoylbenzoic acid?
The canonical SMILES for 2-(butan-2-ylamino)-5-sulfamoylbenzoic acid is CCC(C)Nc1ccc(S(N)(=O)=O)cc1C(=O)O.
What is the InChIKey of 2-(butan-2-ylamino)-5-sulfamoylbenzoic acid?
The InChIKey is RSICNKVVEASNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-3-7(2)13-10-5-4-8(18(12,16)17)6-9(10)11(14)15/h4-7,13H,3H2,1-2H3,(H,14,15)(H2,12,16,17).
What are the key properties of 2-(butan-2-ylamino)-5-sulfamoylbenzoic acid?
2-(butan-2-ylamino)-5-sulfamoylbenzoic acid has a molecular weight of 272.33 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-5-sulfamoylbenzoic acid is sourced from PubChem (CID 43088437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).