4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide

C19H16BrNO4S — CID 1218218

IUPAC4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide
SMILESCOc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H16BrNO4S/c1-24-18-4-2-3-5-19(18)25-16-10-8-15(9-11-16)21-26(22,23)17-12-6-14(20)7-13-17/h2-13,21H,1H3
InChIKeyGZQCSVSRVAOSIU-UHFFFAOYSA-N
MW434.31 g/mol
LogP5.05
Rot. Bonds6

About 4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide

4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide (PubChem CID 1218218) has the molecular formula C19H16BrNO4S and a molecular weight of 434.31 g/mol. Its IUPAC name is 4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide
PubChem CID1218218
Molecular FormulaC19H16BrNO4S
Molecular Weight434.31 g/mol
Exact Mass433.00
IUPAC Name4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide
SMILESCOc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H16BrNO4S/c1-24-18-4-2-3-5-19(18)25-16-10-8-15(9-11-16)21-26(22,23)17-12-6-14(20)7-13-17/h2-13,21H,1H3
InChIKeyGZQCSVSRVAOSIU-UHFFFAOYSA-N
XLogP5.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.31
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide
CID 3539405
3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide
CID 26982440
N-[4-(2-methoxyphenoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2194167
N-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide
CID 1217806
N-(4-bromo-2-phenoxyphenyl)-4-methoxybenzenesulfonamide
CID 68974633
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
4-(4-bromophenoxy)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 25035913
N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide
CID 43604638
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide
CID 100530694
4-bromo-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 3334756
4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 22202817
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide (CID 1218218) is 4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide is COc1ccccc1Oc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide?
The InChIKey is GZQCSVSRVAOSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO4S/c1-24-18-4-2-3-5-19(18)25-16-10-8-15(9-11-16)21-26(22,23)17-12-6-14(20)7-13-17/h2-13,21H,1H3.
What are the key properties of 4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide?
4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide has a molecular weight of 434.31 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 1218218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).