5-[[(2R)-butan-2-yl]sulfamoyl]-2-(butylamino)benzoic acid

C15H24N2O4S — CID 99982166

IUPAC5-[[(2R)-butan-2-yl]sulfamoyl]-2-(butylamino)benzoic acid
SMILESCCCCNc1ccc(S(=O)(=O)N[C@H](C)CC)cc1C(=O)O
InChIInChI=1S/C15H24N2O4S/c1-4-6-9-16-14-8-7-12(10-13(14)15(18)19)22(20,21)17-11(3)5-2/h7-8,10-11,16-17H,4-6,9H2,1-3H3,(H,18,19)/t11-/m1/s1
InChIKeyRNBBWZODSSUXOF-LLVKDONJSA-N
MW328.43 g/mol
LogP2.67
Rot. Bonds9

About 5-[[(2R)-butan-2-yl]sulfamoyl]-2-(butylamino)benzoic acid

5-[[(2R)-butan-2-yl]sulfamoyl]-2-(butylamino)benzoic acid (PubChem CID 99982166) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 5-[[(2R)-butan-2-yl]sulfamoyl]-2-(butylamino)benzoic acid.

Molecular Properties

Compound Name5-[[(2R)-butan-2-yl]sulfamoyl]-2-(butylamino)benzoic acid
PubChem CID99982166
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name5-[[(2R)-butan-2-yl]sulfamoyl]-2-(butylamino)benzoic acid
SMILESCCCCNc1ccc(S(=O)(=O)N[C@H](C)CC)cc1C(=O)O
InChIInChI=1S/C15H24N2O4S/c1-4-6-9-16-14-8-7-12(10-13(14)15(18)19)22(20,21)17-11(3)5-2/h7-8,10-11,16-17H,4-6,9H2,1-3H3,(H,18,19)/t11-/m1/s1
InChIKeyRNBBWZODSSUXOF-LLVKDONJSA-N
XLogP2.67
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[(2R)-butan-2-yl]sulfamoyl]-2-(butylamino)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(butylamino)-5-(propan-2-ylsulfamoyl)benzoic acid
CID 99981727
5-[[(2S)-butan-2-yl]sulfamoyl]-2-(3-propan-2-yloxypropylamino)benzoic acid
CID 99982395
2-(2-hydroxyethylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 132651451
2-(butylamino)-5-(2-hydroxyethylsulfamoyl)benzoic acid
CID 99983490
2-(butan-2-ylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 132652397
2-(3-ethoxypropylamino)-5-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99987044
2-(butylamino)-5-(cyclopropylsulfamoyl)benzoic acid
CID 99982792
2-(3-ethoxypropylamino)-5-(propan-2-ylsulfamoyl)benzoic acid
CID 99981822
2-(2-methoxyethylamino)-5-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzoic acid
CID 99986909
5-(hexan-2-ylsulfamoyl)-2-methylbenzoic acid
CID 62199105
5-[[(2R)-butan-2-yl]sulfamoyl]-2-[2-(cyclohexen-1-yl)ethylamino]benzoic acid
CID 99982228
5-(3-hydroxypropylsulfamoyl)-2-(pentylamino)benzoic acid
CID 99983760

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-butan-2-yl]sulfamoyl]-2-(butylamino)benzoic acid?
The IUPAC name of 5-[[(2R)-butan-2-yl]sulfamoyl]-2-(butylamino)benzoic acid (CID 99982166) is 5-[[(2R)-butan-2-yl]sulfamoyl]-2-(butylamino)benzoic acid.
What is the SMILES notation for 5-[[(2R)-butan-2-yl]sulfamoyl]-2-(butylamino)benzoic acid?
The canonical SMILES for 5-[[(2R)-butan-2-yl]sulfamoyl]-2-(butylamino)benzoic acid is CCCCNc1ccc(S(=O)(=O)N[C@H](C)CC)cc1C(=O)O.
What is the InChIKey of 5-[[(2R)-butan-2-yl]sulfamoyl]-2-(butylamino)benzoic acid?
The InChIKey is RNBBWZODSSUXOF-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-4-6-9-16-14-8-7-12(10-13(14)15(18)19)22(20,21)17-11(3)5-2/h7-8,10-11,16-17H,4-6,9H2,1-3H3,(H,18,19)/t11-/m1/s1.
What are the key properties of 5-[[(2R)-butan-2-yl]sulfamoyl]-2-(butylamino)benzoic acid?
5-[[(2R)-butan-2-yl]sulfamoyl]-2-(butylamino)benzoic acid has a molecular weight of 328.43 g/mol, XLogP of 2.67, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-butan-2-yl]sulfamoyl]-2-(butylamino)benzoic acid is sourced from PubChem (CID 99982166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).