N-(2,6-dichloro-4-sulfamoylphenyl)-3-methylbut-2-enamide

C11H12Cl2N2O3S — CID 61128272

IUPACN-(2,6-dichloro-4-sulfamoylphenyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C11H12Cl2N2O3S/c1-6(2)3-10(16)15-11-8(12)4-7(5-9(11)13)19(14,17)18/h3-5H,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyWWHRRRHCYKQQSJ-UHFFFAOYSA-N
MW323.20 g/mol
LogP2.55
Rot. Bonds3

About N-(2,6-dichloro-4-sulfamoylphenyl)-3-methylbut-2-enamide

N-(2,6-dichloro-4-sulfamoylphenyl)-3-methylbut-2-enamide (PubChem CID 61128272) has the molecular formula C11H12Cl2N2O3S and a molecular weight of 323.20 g/mol. Its IUPAC name is N-(2,6-dichloro-4-sulfamoylphenyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-sulfamoylphenyl)-3-methylbut-2-enamide
PubChem CID61128272
Molecular FormulaC11H12Cl2N2O3S
Molecular Weight323.20 g/mol
Exact Mass321.99
IUPAC NameN-(2,6-dichloro-4-sulfamoylphenyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C11H12Cl2N2O3S/c1-6(2)3-10(16)15-11-8(12)4-7(5-9(11)13)19(14,17)18/h3-5H,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyWWHRRRHCYKQQSJ-UHFFFAOYSA-N
XLogP2.55
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (E)-2-(2,6-dichloro-4-sulfamoylanilino)but-2-enedioate
CID 168566914
N-(2,6-dichloro-4-sulfamoylphenyl)cyclopentanecarboxamide
CID 43246828
N-(2,6-dichloro-4-sulfamoylphenyl)-3,3,3-trifluoropropanamide
CID 43246826
3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide
CID 43134231
N-(2,6-dichloro-4-sulfamoylphenyl)pyrimidine-5-carboxamide
CID 102922062
3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide
CID 115580042
methyl N-[(2,6-dichloro-4-sulfamoylphenyl)sulfamoyl]carbamate
CID 114466073
N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2,2-dimethylbutanamide
CID 66256512
N-(2,6-dichloro-4-sulfamoylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 9249472
N-(2,6-dichloro-4-sulfamoylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2456584
3-chloro-2-methyl-5-sulfamoylbenzamide
CID 107100898
N-(2-chloro-6-methyl-4-sulfamoylphenyl)cyclobutanecarboxamide
CID 66255370

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-sulfamoylphenyl)-3-methylbut-2-enamide?
The IUPAC name of N-(2,6-dichloro-4-sulfamoylphenyl)-3-methylbut-2-enamide (CID 61128272) is N-(2,6-dichloro-4-sulfamoylphenyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(2,6-dichloro-4-sulfamoylphenyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(2,6-dichloro-4-sulfamoylphenyl)-3-methylbut-2-enamide is CC(C)=CC(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of N-(2,6-dichloro-4-sulfamoylphenyl)-3-methylbut-2-enamide?
The InChIKey is WWHRRRHCYKQQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3S/c1-6(2)3-10(16)15-11-8(12)4-7(5-9(11)13)19(14,17)18/h3-5H,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(2,6-dichloro-4-sulfamoylphenyl)-3-methylbut-2-enamide?
N-(2,6-dichloro-4-sulfamoylphenyl)-3-methylbut-2-enamide has a molecular weight of 323.20 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-sulfamoylphenyl)-3-methylbut-2-enamide is sourced from PubChem (CID 61128272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).