(E)-N'-(benzenesulfonyl)but-2-enediamide

C10H10N2O4S — CID 22610827

IUPAC(E)-N'-(benzenesulfonyl)but-2-enediamide
SMILESNC(=O)/C=C/C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H10N2O4S/c11-9(13)6-7-10(14)12-17(15,16)8-4-2-1-3-5-8/h1-7H,(H2,11,13)(H,12,14)/b7-6+
InChIKeyNPDBJJJMEUDMNQ-VOTSOKGWSA-N
MW254.27 g/mol
LogP-0.47
Rot. Bonds4

About (E)-N'-(benzenesulfonyl)but-2-enediamide

(E)-N'-(benzenesulfonyl)but-2-enediamide (PubChem CID 22610827) has the molecular formula C10H10N2O4S and a molecular weight of 254.27 g/mol. Its IUPAC name is (E)-N'-(benzenesulfonyl)but-2-enediamide.

Molecular Properties

Compound Name(E)-N'-(benzenesulfonyl)but-2-enediamide
PubChem CID22610827
Molecular FormulaC10H10N2O4S
Molecular Weight254.27 g/mol
Exact Mass254.04
IUPAC Name(E)-N'-(benzenesulfonyl)but-2-enediamide
SMILESNC(=O)/C=C/C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H10N2O4S/c11-9(13)6-7-10(14)12-17(15,16)8-4-2-1-3-5-8/h1-7H,(H2,11,13)(H,12,14)/b7-6+
InChIKeyNPDBJJJMEUDMNQ-VOTSOKGWSA-N
XLogP-0.47
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 162324012
CID 162324012
N-(benzenesulfonyl)-2,2-dichloroacetamide
CID 3778605
3-(benzenesulfonyl)prop-2-enamide;dihydrochloride
CID 129105097
4-amino-N-(benzenesulfonyl)benzamide
CID 12876556
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
methyl N-(benzenesulfonyl)carbamate
CID 676519
4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
CID 90126567
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
N-(benzenesulfonyl)-2-methylprop-2-enamide
CID 15084877
benzenesulfonohydrazide;(E)-carbamoyliminourea
CID 18359618
4-[[(E)-3-[4-[(Z)-1,2-diphenylbut-1-enyl]phenyl]prop-2-enoyl]sulfamoyl]benzoic acid
CID 10230505
N-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide
CID 884609

Frequently Asked Questions

What is the IUPAC name of (E)-N'-(benzenesulfonyl)but-2-enediamide?
The IUPAC name of (E)-N'-(benzenesulfonyl)but-2-enediamide (CID 22610827) is (E)-N'-(benzenesulfonyl)but-2-enediamide.
What is the SMILES notation for (E)-N'-(benzenesulfonyl)but-2-enediamide?
The canonical SMILES for (E)-N'-(benzenesulfonyl)but-2-enediamide is NC(=O)/C=C/C(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of (E)-N'-(benzenesulfonyl)but-2-enediamide?
The InChIKey is NPDBJJJMEUDMNQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H10N2O4S/c11-9(13)6-7-10(14)12-17(15,16)8-4-2-1-3-5-8/h1-7H,(H2,11,13)(H,12,14)/b7-6+.
What are the key properties of (E)-N'-(benzenesulfonyl)but-2-enediamide?
(E)-N'-(benzenesulfonyl)but-2-enediamide has a molecular weight of 254.27 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(benzenesulfonyl)but-2-enediamide is sourced from PubChem (CID 22610827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).