4-Bromo-N-(4-methoxyphenyl)benzenesulfonamide

C13H12BrNO3S — CID 202089

IUPAC4-bromo-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Br
InChIInChI=1S/C13H12BrNO3S/c1-18-12-6-4-11(5-7-12)15-19(16,17)13-8-2-10(14)3-9-13/h2-9,15H,1H3
InChIKeyRQCJPHFHAJZWBS-UHFFFAOYSA-N
MW342.21 g/mol
LogP2.90
Rot. Bonds4

About 4-Bromo-N-(4-methoxyphenyl)benzenesulfonamide

4-Bromo-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 202089) has the molecular formula C13H12BrNO3S and a molecular weight of 342.21 g/mol. Its IUPAC name is 4-bromo-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-Bromo-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID202089
Molecular FormulaC13H12BrNO3S
Molecular Weight342.21 g/mol
Exact Mass340.97
IUPAC Name4-bromo-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Br
InChIInChI=1S/C13H12BrNO3S/c1-18-12-6-4-11(5-7-12)15-19(16,17)13-8-2-10(14)3-9-13/h2-9,15H,1H3
InChIKeyRQCJPHFHAJZWBS-UHFFFAOYSA-N
XLogP2.90
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity366

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Batabulin
CID 216324
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-(4-Methoxyphenyl)benzenesulfonamide
CID 345790
4-amino-N-(4-methoxyphenyl)benzene-1-sulfonamide
CID 578975
2-bromo-3,4,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485020
1-Bromo-2,4,5,6-tetrafluoro-3-[(4-methoxyphenyl)aminosulfonyl]benzene
CID 15485021
4-amino-N-(4-ethoxyphenyl)benzenesulfonamide
CID 788027
3-Amino-N-(4-methoxyphenyl)benzenesulfonamide
CID 2756466
N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 341400
N-(4-methoxyphenyl)-4-(methylthio)benzenesulfonamide
CID 973953
N-(4-phenoxyphenyl)benzenesulfonamide
CID 2348480
2,3,4-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 3868683

Frequently Asked Questions

What is the IUPAC name of 4-Bromo-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-Bromo-N-(4-methoxyphenyl)benzenesulfonamide (CID 202089) is 4-bromo-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-Bromo-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-Bromo-N-(4-methoxyphenyl)benzenesulfonamide is COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Br.
What is the InChIKey of 4-Bromo-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is RQCJPHFHAJZWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3S/c1-18-12-6-4-11(5-7-12)15-19(16,17)13-8-2-10(14)3-9-13/h2-9,15H,1H3.
What are the key properties of 4-Bromo-N-(4-methoxyphenyl)benzenesulfonamide?
4-Bromo-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 342.21 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Bromo-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 202089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).