N'-(4-aminophenyl)sulfonyl-3-hydroxybut-2-enimidamide

C10H13N3O3S — CID 168720535

IUPACN'-(4-aminophenyl)sulfonyl-3-hydroxybut-2-enimidamide
SMILESCC(O)=CC(N)=NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H13N3O3S/c1-7(14)6-10(12)13-17(15,16)9-4-2-8(11)3-5-9/h2-6,14H,11H2,1H3,(H2,12,13)
InChIKeyCQSREULPHOUSFX-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.78
Rot. Bonds3

About N'-(4-aminophenyl)sulfonyl-3-hydroxybut-2-enimidamide

N'-(4-aminophenyl)sulfonyl-3-hydroxybut-2-enimidamide (PubChem CID 168720535) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is N'-(4-aminophenyl)sulfonyl-3-hydroxybut-2-enimidamide.

Molecular Properties

Compound NameN'-(4-aminophenyl)sulfonyl-3-hydroxybut-2-enimidamide
PubChem CID168720535
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC NameN'-(4-aminophenyl)sulfonyl-3-hydroxybut-2-enimidamide
SMILESCC(O)=CC(N)=NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C10H13N3O3S/c1-7(14)6-10(12)13-17(15,16)9-4-2-8(11)3-5-9/h2-6,14H,11H2,1H3,(H2,12,13)
InChIKeyCQSREULPHOUSFX-UHFFFAOYSA-N
XLogP0.78
TPSA118.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

sodium N'-(4-aminophenyl)sulfonylcarbamimidate
CID 138399650
4-amino-N-[bis(methylsulfanyl)methylidene]benzenesulfonamide;methyl ethanedithioate
CID 2754724
N'-(benzenesulfonyl)ethanimidamide
CID 3716690
(E)-N-[4-[(Z)-(1-amino-3-methylbut-2-enylidene)amino]sulfonylphenyl]-3-phenylprop-2-enamide
CID 59432846
(Z)-N'-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonyl-3-hydroxybut-2-enimidamide
CID 135965515
acetamide;4-aminobenzenesulfonamide
CID 175093651
6-chloro-1,2,3,4-tetrahydroquinoline;(Z)-3-hydroxy-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbut-2-enimidamide;molecular hydrogen
CID 162008941
4-[(2E,4E)-5-aminohexa-2,4-dien-2-yl]sulfonylaniline
CID 139571336
sodium N-[5-amino-2-(4-aminophenyl)sulfonylphenyl]sulfonylethanimidate
CID 74084511
N'-(4-aminophenyl)sulfonylpyrazine-2-carboximidamide
CID 72682316
4-amino-N-(oxomethylidene)benzenesulfonamide
CID 154122066
4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide
CID 158952098

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminophenyl)sulfonyl-3-hydroxybut-2-enimidamide?
The IUPAC name of N'-(4-aminophenyl)sulfonyl-3-hydroxybut-2-enimidamide (CID 168720535) is N'-(4-aminophenyl)sulfonyl-3-hydroxybut-2-enimidamide.
What is the SMILES notation for N'-(4-aminophenyl)sulfonyl-3-hydroxybut-2-enimidamide?
The canonical SMILES for N'-(4-aminophenyl)sulfonyl-3-hydroxybut-2-enimidamide is CC(O)=CC(N)=NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of N'-(4-aminophenyl)sulfonyl-3-hydroxybut-2-enimidamide?
The InChIKey is CQSREULPHOUSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-7(14)6-10(12)13-17(15,16)9-4-2-8(11)3-5-9/h2-6,14H,11H2,1H3,(H2,12,13).
What are the key properties of N'-(4-aminophenyl)sulfonyl-3-hydroxybut-2-enimidamide?
N'-(4-aminophenyl)sulfonyl-3-hydroxybut-2-enimidamide has a molecular weight of 255.30 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminophenyl)sulfonyl-3-hydroxybut-2-enimidamide is sourced from PubChem (CID 168720535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).