4-aminobenzenesulfonamide;2-methylprop-2-enoic acid

C10H14N2O4S — CID 174803874

IUPAC4-aminobenzenesulfonamide;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C6H8N2O2S.C4H6O2/c7-5-1-3-6(4-2-5)11(8,9)10;1-3(2)4(5)6/h1-4H,7H2,(H2,8,9,10);1H2,2H3,(H,5,6)
InChIKeyPBTCGFXAIPHSNO-UHFFFAOYSA-N
MW258.30 g/mol
LogP0.56
Rot. Bonds2

About 4-aminobenzenesulfonamide;2-methylprop-2-enoic acid

4-aminobenzenesulfonamide;2-methylprop-2-enoic acid (PubChem CID 174803874) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-aminobenzenesulfonamide;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name4-aminobenzenesulfonamide;2-methylprop-2-enoic acid
PubChem CID174803874
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name4-aminobenzenesulfonamide;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C6H8N2O2S.C4H6O2/c7-5-1-3-6(4-2-5)11(8,9)10;1-3(2)4(5)6/h1-4H,7H2,(H2,8,9,10);1H2,2H3,(H,5,6)
InChIKeyPBTCGFXAIPHSNO-UHFFFAOYSA-N
XLogP0.56
TPSA123.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

acetamide;4-aminobenzenesulfonamide
CID 175093651
4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide
CID 158952098
4-aminobenzenesulfonamide;fluoromethane
CID 159574204
4-aminobenzenesulfonamide;(2S)-2-amino-3-methylbutanoic acid
CID 66808736
CID 159358457
CID 159358457
sodium;4-aminobenzenesulfonamide;hydride
CID 173094657
4-aminobenzenesulfonamide;azanylidyneazanium
CID 21219865
4-(3-methyl-2-oxobut-3-enyl)benzenesulfonamide
CID 58422539
4-aminobenzenesulfonamide;fluoroform
CID 121362415
4-acetylbenzenesulfonamide;2-oxo-2-(4-sulfamoylphenyl)acetic acid
CID 161079188
[(4-sulfamoylphenyl)carbamoylamino] 2-methylprop-2-enoate
CID 175278982
2-methylprop-2-enoic acid;sulfamoyl fluoride
CID 175567061

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzenesulfonamide;2-methylprop-2-enoic acid?
The IUPAC name of 4-aminobenzenesulfonamide;2-methylprop-2-enoic acid (CID 174803874) is 4-aminobenzenesulfonamide;2-methylprop-2-enoic acid.
What is the SMILES notation for 4-aminobenzenesulfonamide;2-methylprop-2-enoic acid?
The canonical SMILES for 4-aminobenzenesulfonamide;2-methylprop-2-enoic acid is C=C(C)C(=O)O.Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-aminobenzenesulfonamide;2-methylprop-2-enoic acid?
The InChIKey is PBTCGFXAIPHSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S.C4H6O2/c7-5-1-3-6(4-2-5)11(8,9)10;1-3(2)4(5)6/h1-4H,7H2,(H2,8,9,10);1H2,2H3,(H,5,6).
What are the key properties of 4-aminobenzenesulfonamide;2-methylprop-2-enoic acid?
4-aminobenzenesulfonamide;2-methylprop-2-enoic acid has a molecular weight of 258.30 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzenesulfonamide;2-methylprop-2-enoic acid is sourced from PubChem (CID 174803874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).