N-(4-bromophenyl)ethenesulfonamide

C8H8BrNO2S — CID 70682660

IUPACN-(4-bromophenyl)ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C8H8BrNO2S/c1-2-13(11,12)10-8-5-3-7(9)4-6-8/h2-6,10H,1H2
InChIKeySDUIBQUHAWOZIT-UHFFFAOYSA-N
MW262.13 g/mol
LogP2.33
Rot. Bonds3

About N-(4-bromophenyl)ethenesulfonamide

N-(4-bromophenyl)ethenesulfonamide (PubChem CID 70682660) has the molecular formula C8H8BrNO2S and a molecular weight of 262.13 g/mol. Its IUPAC name is N-(4-bromophenyl)ethenesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)ethenesulfonamide
PubChem CID70682660
Molecular FormulaC8H8BrNO2S
Molecular Weight262.13 g/mol
Exact Mass260.95
IUPAC NameN-(4-bromophenyl)ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C8H8BrNO2S/c1-2-13(11,12)10-8-5-3-7(9)4-6-8/h2-6,10H,1H2
InChIKeySDUIBQUHAWOZIT-UHFFFAOYSA-N
XLogP2.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)ethenesulfonamide?
The IUPAC name of N-(4-bromophenyl)ethenesulfonamide (CID 70682660) is N-(4-bromophenyl)ethenesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)ethenesulfonamide?
The canonical SMILES for N-(4-bromophenyl)ethenesulfonamide is C=CS(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)ethenesulfonamide?
The InChIKey is SDUIBQUHAWOZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2S/c1-2-13(11,12)10-8-5-3-7(9)4-6-8/h2-6,10H,1H2.
What are the key properties of N-(4-bromophenyl)ethenesulfonamide?
N-(4-bromophenyl)ethenesulfonamide has a molecular weight of 262.13 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)ethenesulfonamide is sourced from PubChem (CID 70682660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).