2-amino-5-(2-methylpropylsulfamoyl)-4-(piperazine-1-carbonyl)benzoic acid

C16H24N4O5S — CID 54292591

IUPAC2-amino-5-(2-methylpropylsulfamoyl)-4-(piperazine-1-carbonyl)benzoic acid
SMILESCC(C)CNS(=O)(=O)c1cc(C(=O)O)c(N)cc1C(=O)N1CCNCC1
InChIInChI=1S/C16H24N4O5S/c1-10(2)9-19-26(24,25)14-8-11(16(22)23)13(17)7-12(14)15(21)20-5-3-18-4-6-20/h7-8,10,18-19H,3-6,9,17H2,1-2H3,(H,22,23)
InChIKeyRYOGKVYZMIYZRF-UHFFFAOYSA-N
MW384.46 g/mol
LogP-0.05
Rot. Bonds6

About 2-amino-5-(2-methylpropylsulfamoyl)-4-(piperazine-1-carbonyl)benzoic acid

2-amino-5-(2-methylpropylsulfamoyl)-4-(piperazine-1-carbonyl)benzoic acid (PubChem CID 54292591) has the molecular formula C16H24N4O5S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-amino-5-(2-methylpropylsulfamoyl)-4-(piperazine-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(2-methylpropylsulfamoyl)-4-(piperazine-1-carbonyl)benzoic acid
PubChem CID54292591
Molecular FormulaC16H24N4O5S
Molecular Weight384.46 g/mol
Exact Mass384.15
IUPAC Name2-amino-5-(2-methylpropylsulfamoyl)-4-(piperazine-1-carbonyl)benzoic acid
SMILESCC(C)CNS(=O)(=O)c1cc(C(=O)O)c(N)cc1C(=O)N1CCNCC1
InChIInChI=1S/C16H24N4O5S/c1-10(2)9-19-26(24,25)14-8-11(16(22)23)13(17)7-12(14)15(21)20-5-3-18-4-6-20/h7-8,10,18-19H,3-6,9,17H2,1-2H3,(H,22,23)
InChIKeyRYOGKVYZMIYZRF-UHFFFAOYSA-N
XLogP-0.05
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid
CID 877955
4-amino-3-(4-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 86739982
(5-amino-2,4-difluorophenyl)-piperazin-1-ylmethanone
CID 82511462
N-ethyl-4-methyl-3-(piperazine-1-carbonyl)benzenesulfonamide
CID 119400509
(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-piperazin-1-ylmethanone
CID 82550269
4-amino-2-[2-(dimethylamino)propylsulfamoyl]benzoic acid
CID 102931085
methyl 4-amino-2-(2-methylpropylsulfamoyl)benzoate
CID 102930746
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109058905
piperazin-1-yl-(2-propan-2-ylsulfonylphenyl)methanone;hydrochloride
CID 119403179
2-amino-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 30057072
2-amino-N-(2-methylpropyl)benzenesulfonamide
CID 16787736
2,4-dichloro-5-(2,2-difluoroethylsulfamoyl)benzoic acid
CID 115405532

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-methylpropylsulfamoyl)-4-(piperazine-1-carbonyl)benzoic acid?
The IUPAC name of 2-amino-5-(2-methylpropylsulfamoyl)-4-(piperazine-1-carbonyl)benzoic acid (CID 54292591) is 2-amino-5-(2-methylpropylsulfamoyl)-4-(piperazine-1-carbonyl)benzoic acid.
What is the SMILES notation for 2-amino-5-(2-methylpropylsulfamoyl)-4-(piperazine-1-carbonyl)benzoic acid?
The canonical SMILES for 2-amino-5-(2-methylpropylsulfamoyl)-4-(piperazine-1-carbonyl)benzoic acid is CC(C)CNS(=O)(=O)c1cc(C(=O)O)c(N)cc1C(=O)N1CCNCC1.
What is the InChIKey of 2-amino-5-(2-methylpropylsulfamoyl)-4-(piperazine-1-carbonyl)benzoic acid?
The InChIKey is RYOGKVYZMIYZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5S/c1-10(2)9-19-26(24,25)14-8-11(16(22)23)13(17)7-12(14)15(21)20-5-3-18-4-6-20/h7-8,10,18-19H,3-6,9,17H2,1-2H3,(H,22,23).
What are the key properties of 2-amino-5-(2-methylpropylsulfamoyl)-4-(piperazine-1-carbonyl)benzoic acid?
2-amino-5-(2-methylpropylsulfamoyl)-4-(piperazine-1-carbonyl)benzoic acid has a molecular weight of 384.46 g/mol, XLogP of -0.05, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-methylpropylsulfamoyl)-4-(piperazine-1-carbonyl)benzoic acid is sourced from PubChem (CID 54292591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).