3-chloro-N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-2-methylbenzenesulfonamide

C17H15Cl2NO3S — CID 143906895

IUPAC3-chloro-N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-2-methylbenzenesulfonamide
SMILESC=Cc1c(NS(=O)(=O)c2cccc(Cl)c2C)cc(Cl)c(O)c1C=C
InChIInChI=1S/C17H15Cl2NO3S/c1-4-11-12(5-2)17(21)14(19)9-15(11)20-24(22,23)16-8-6-7-13(18)10(16)3/h4-9,20-21H,1-2H2,3H3
InChIKeyWQYXIVXQJDSQFZ-UHFFFAOYSA-N
MW384.28 g/mol
LogP5.09
Rot. Bonds5

About 3-chloro-N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-2-methylbenzenesulfonamide

3-chloro-N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-2-methylbenzenesulfonamide (PubChem CID 143906895) has the molecular formula C17H15Cl2NO3S and a molecular weight of 384.28 g/mol. Its IUPAC name is 3-chloro-N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-2-methylbenzenesulfonamide
PubChem CID143906895
Molecular FormulaC17H15Cl2NO3S
Molecular Weight384.28 g/mol
Exact Mass383.01
IUPAC Name3-chloro-N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-2-methylbenzenesulfonamide
SMILESC=Cc1c(NS(=O)(=O)c2cccc(Cl)c2C)cc(Cl)c(O)c1C=C
InChIInChI=1S/C17H15Cl2NO3S/c1-4-11-12(5-2)17(21)14(19)9-15(11)20-24(22,23)16-8-6-7-13(18)10(16)3/h4-9,20-21H,1-2H2,3H3
InChIKeyWQYXIVXQJDSQFZ-UHFFFAOYSA-N
XLogP5.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.28
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-3-methoxybenzenesulfonamide
CID 143906940
N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 156749782
3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103098192
3-chloro-2-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532748
2-chloro-N-(2-hydroxy-3-methylphenyl)benzenesulfonamide
CID 79601343
3-chloro-N-(2-ethyl-6-methylphenyl)-2-methylbenzenesulfonamide
CID 60532850
N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696
methyl 5-[(3-chloro-2-methylphenyl)sulfonylamino]-2,4-difluorobenzoate
CID 87026690
3-chloro-N-[2-(ethoxymethyl)phenyl]-2-methylbenzenesulfonamide
CID 86824893
3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzenesulfonamide
CID 115698055
N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 60532816
N-[2,3-bis(ethenyl)-4,5-dihydroxyphenyl]-2-methyl-5-nitrosobenzenesulfonamide
CID 144779179

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-2-methylbenzenesulfonamide (CID 143906895) is 3-chloro-N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-2-methylbenzenesulfonamide is C=Cc1c(NS(=O)(=O)c2cccc(Cl)c2C)cc(Cl)c(O)c1C=C.
What is the InChIKey of 3-chloro-N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-2-methylbenzenesulfonamide?
The InChIKey is WQYXIVXQJDSQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3S/c1-4-11-12(5-2)17(21)14(19)9-15(11)20-24(22,23)16-8-6-7-13(18)10(16)3/h4-9,20-21H,1-2H2,3H3.
What are the key properties of 3-chloro-N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-2-methylbenzenesulfonamide?
3-chloro-N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-2-methylbenzenesulfonamide has a molecular weight of 384.28 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-chloro-2,3-bis(ethenyl)-4-hydroxyphenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 143906895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).