N-(4-bromophenyl)-1-cyano-2-(2-hydroxyphenyl)ethenesulfonamide

C15H11BrN2O3S — CID 68944799

IUPACN-(4-bromophenyl)-1-cyano-2-(2-hydroxyphenyl)ethenesulfonamide
SMILESN#CC(=Cc1ccccc1O)S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O3S/c16-12-5-7-13(8-6-12)18-22(20,21)14(10-17)9-11-3-1-2-4-15(11)19/h1-9,18-19H
InChIKeyQVPYRXOSVOWQRL-UHFFFAOYSA-N
MW379.24 g/mol
LogP3.46
Rot. Bonds4

About N-(4-bromophenyl)-1-cyano-2-(2-hydroxyphenyl)ethenesulfonamide

N-(4-bromophenyl)-1-cyano-2-(2-hydroxyphenyl)ethenesulfonamide (PubChem CID 68944799) has the molecular formula C15H11BrN2O3S and a molecular weight of 379.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-cyano-2-(2-hydroxyphenyl)ethenesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-cyano-2-(2-hydroxyphenyl)ethenesulfonamide
PubChem CID68944799
Molecular FormulaC15H11BrN2O3S
Molecular Weight379.24 g/mol
Exact Mass377.97
IUPAC NameN-(4-bromophenyl)-1-cyano-2-(2-hydroxyphenyl)ethenesulfonamide
SMILESN#CC(=Cc1ccccc1O)S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O3S/c16-12-5-7-13(8-6-12)18-22(20,21)14(10-17)9-11-3-1-2-4-15(11)19/h1-9,18-19H
InChIKeyQVPYRXOSVOWQRL-UHFFFAOYSA-N
XLogP3.46
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(4-bromophenyl)-1-cyano-2-(3-methylthiophen-2-yl)ethenesulfonamide
CID 68944443
2-(4-bromophenyl)-1-cyano-N-(4-methoxyphenyl)ethenesulfonamide
CID 68944818
(E)-2-(4-bromophenyl)-1-cyano-N-(4-methoxyphenyl)ethenesulfonamide
CID 25052714
(Z)-N-(4-bromophenyl)-1-cyano-2-(2,3,4-trimethoxyphenyl)ethenesulfonamide
CID 68942768
(Z)-2-(2-chlorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide
CID 68946458
(E)-2-(4-bromophenyl)sulfonyl-3-(2-fluorophenyl)prop-2-enenitrile
CID 9042055
(E)-1-cyano-N-(4-fluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide
CID 25052537
1-cyano-N-(4-fluorophenyl)-2-(1H-indol-3-yl)ethenesulfonamide
CID 68944850
(Z)-1-cyano-2-(2,4-difluorophenyl)-N-(4-fluorophenyl)ethenesulfonamide
CID 68940144
(Z)-1-cyano-2-(2,6-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 68941943
2-[(2-hydroxyphenyl)methylidene]propanedinitrile
CID 23409
1-cyano-2-(2,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 68946474

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-cyano-2-(2-hydroxyphenyl)ethenesulfonamide?
The IUPAC name of N-(4-bromophenyl)-1-cyano-2-(2-hydroxyphenyl)ethenesulfonamide (CID 68944799) is N-(4-bromophenyl)-1-cyano-2-(2-hydroxyphenyl)ethenesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-1-cyano-2-(2-hydroxyphenyl)ethenesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-1-cyano-2-(2-hydroxyphenyl)ethenesulfonamide is N#CC(=Cc1ccccc1O)S(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-1-cyano-2-(2-hydroxyphenyl)ethenesulfonamide?
The InChIKey is QVPYRXOSVOWQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3S/c16-12-5-7-13(8-6-12)18-22(20,21)14(10-17)9-11-3-1-2-4-15(11)19/h1-9,18-19H.
What are the key properties of N-(4-bromophenyl)-1-cyano-2-(2-hydroxyphenyl)ethenesulfonamide?
N-(4-bromophenyl)-1-cyano-2-(2-hydroxyphenyl)ethenesulfonamide has a molecular weight of 379.24 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-cyano-2-(2-hydroxyphenyl)ethenesulfonamide is sourced from PubChem (CID 68944799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).