3-butyl-4-hydrazinyl-2-sulfamoylbenzoic acid

C11H17N3O4S — CID 174393108

IUPAC3-butyl-4-hydrazinyl-2-sulfamoylbenzoic acid
SMILESCCCCc1c(NN)ccc(C(=O)O)c1S(N)(=O)=O
InChIInChI=1S/C11H17N3O4S/c1-2-3-4-7-9(14-12)6-5-8(11(15)16)10(7)19(13,17)18/h5-6,14H,2-4,12H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyNLFUVCOVLLRVRM-UHFFFAOYSA-N
MW287.34 g/mol
LogP0.66
Rot. Bonds6

About 3-butyl-4-hydrazinyl-2-sulfamoylbenzoic acid

3-butyl-4-hydrazinyl-2-sulfamoylbenzoic acid (PubChem CID 174393108) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-butyl-4-hydrazinyl-2-sulfamoylbenzoic acid.

Molecular Properties

Compound Name3-butyl-4-hydrazinyl-2-sulfamoylbenzoic acid
PubChem CID174393108
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name3-butyl-4-hydrazinyl-2-sulfamoylbenzoic acid
SMILESCCCCc1c(NN)ccc(C(=O)O)c1S(N)(=O)=O
InChIInChI=1S/C11H17N3O4S/c1-2-3-4-7-9(14-12)6-5-8(11(15)16)10(7)19(13,17)18/h5-6,14H,2-4,12H2,1H3,(H,15,16)(H2,13,17,18)
InChIKeyNLFUVCOVLLRVRM-UHFFFAOYSA-N
XLogP0.66
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-butyl-4-phenyl-3-sulfamoylbenzoic acid
CID 174756984
3-(3-carboxy-6-hydroxy-2-tetracosylphenyl)sulfonyl-4-hydroxy-2-tetracosylbenzoic acid
CID 88605022
3-(3-carboxy-6-hydroxy-2-octacosylphenyl)sulfonyl-4-hydroxy-2-octacosylbenzoic acid
CID 88604998
3-(3-carboxy-6-hydroxy-2-pentadecylphenyl)sulfonyl-4-hydroxy-2-pentadecylbenzoic acid
CID 70358620
2,3-di(icosyl)terephthalic acid
CID 89482295
2,3-dihexadecylterephthalic acid
CID 70135464
2-nonyl-3-pentylterephthalic acid
CID 122470238
2-butyl-3-(2-butyl-3-carboxy-6-hydroxyphenyl)sulfanyl-4-hydroxybenzoic acid
CID 70358803
2,4-dibutylbenzene-1,3-dicarboxylic acid
CID 23617934
2,3-diheptyl-4-hydroxybenzoic acid
CID 69402262
3-(1-hydroxypropyl)-2-sulfamoylbenzoic acid
CID 69458297
3-butyl-2-sulfamoylbenzamide
CID 122670193

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-hydrazinyl-2-sulfamoylbenzoic acid?
The IUPAC name of 3-butyl-4-hydrazinyl-2-sulfamoylbenzoic acid (CID 174393108) is 3-butyl-4-hydrazinyl-2-sulfamoylbenzoic acid.
What is the SMILES notation for 3-butyl-4-hydrazinyl-2-sulfamoylbenzoic acid?
The canonical SMILES for 3-butyl-4-hydrazinyl-2-sulfamoylbenzoic acid is CCCCc1c(NN)ccc(C(=O)O)c1S(N)(=O)=O.
What is the InChIKey of 3-butyl-4-hydrazinyl-2-sulfamoylbenzoic acid?
The InChIKey is NLFUVCOVLLRVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-2-3-4-7-9(14-12)6-5-8(11(15)16)10(7)19(13,17)18/h5-6,14H,2-4,12H2,1H3,(H,15,16)(H2,13,17,18).
What are the key properties of 3-butyl-4-hydrazinyl-2-sulfamoylbenzoic acid?
3-butyl-4-hydrazinyl-2-sulfamoylbenzoic acid has a molecular weight of 287.34 g/mol, XLogP of 0.66, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-hydrazinyl-2-sulfamoylbenzoic acid is sourced from PubChem (CID 174393108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).