4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide

C14H14BrNO3S — CID 65481190

IUPAC4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C14H14BrNO3S/c1-19-14-5-3-2-4-13(14)16-20(17,18)12-8-6-11(10-15)7-9-12/h2-9,16H,10H2,1H3
InChIKeyWKAVDBTUERJWOU-UHFFFAOYSA-N
MW356.24 g/mol
LogP3.39
Rot. Bonds5

About 4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide

4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 65481190) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID65481190
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC Name4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C14H14BrNO3S/c1-19-14-5-3-2-4-13(14)16-20(17,18)12-8-6-11(10-15)7-9-12/h2-9,16H,10H2,1H3
InChIKeyWKAVDBTUERJWOU-UHFFFAOYSA-N
XLogP3.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-(2-bromophenyl)benzenesulfonamide
CID 65480204
4-(bromomethyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 65481384
N-(2-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 110757761
methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 678083
4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 22202817
4-(bromomethyl)-N-(2-nitrophenyl)benzenesulfonamide
CID 65481606
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 1289218
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26796078
1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea
CID 149149080
1-(2-methoxyethyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679043

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide (CID 65481190) is 4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is WKAVDBTUERJWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S/c1-19-14-5-3-2-4-13(14)16-20(17,18)12-8-6-11(10-15)7-9-12/h2-9,16H,10H2,1H3.
What are the key properties of 4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide?
4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 356.24 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 65481190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).