N,N-bis[(2-bromo-5-methoxyphenyl)methyl]benzenesulfonamide

C22H21Br2NO4S — CID 134832034

IUPACN,N-bis[(2-bromo-5-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(Br)c(CN(Cc2cc(OC)ccc2Br)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H21Br2NO4S/c1-28-18-8-10-21(23)16(12-18)14-25(30(26,27)20-6-4-3-5-7-20)15-17-13-19(29-2)9-11-22(17)24/h3-13H,14-15H2,1-2H3
InChIKeyUYWPOTUVWKVFIK-UHFFFAOYSA-N
MW555.29 g/mol
LogP5.62
Rot. Bonds8

About N,N-bis[(2-bromo-5-methoxyphenyl)methyl]benzenesulfonamide

N,N-bis[(2-bromo-5-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 134832034) has the molecular formula C22H21Br2NO4S and a molecular weight of 555.29 g/mol. Its IUPAC name is N,N-bis[(2-bromo-5-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-bis[(2-bromo-5-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID134832034
Molecular FormulaC22H21Br2NO4S
Molecular Weight555.29 g/mol
Exact Mass552.96
IUPAC NameN,N-bis[(2-bromo-5-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(Br)c(CN(Cc2cc(OC)ccc2Br)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H21Br2NO4S/c1-28-18-8-10-21(23)16(12-18)14-25(30(26,27)20-6-4-3-5-7-20)15-17-13-19(29-2)9-11-22(17)24/h3-13H,14-15H2,1-2H3
InChIKeyUYWPOTUVWKVFIK-UHFFFAOYSA-N
XLogP5.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.29
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-bis[(2-bromo-5-methoxyphenyl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(2-bromo-5-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of N,N-bis[(2-bromo-5-methoxyphenyl)methyl]benzenesulfonamide (CID 134832034) is N,N-bis[(2-bromo-5-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N,N-bis[(2-bromo-5-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N,N-bis[(2-bromo-5-methoxyphenyl)methyl]benzenesulfonamide is COc1ccc(Br)c(CN(Cc2cc(OC)ccc2Br)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N,N-bis[(2-bromo-5-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is UYWPOTUVWKVFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Br2NO4S/c1-28-18-8-10-21(23)16(12-18)14-25(30(26,27)20-6-4-3-5-7-20)15-17-13-19(29-2)9-11-22(17)24/h3-13H,14-15H2,1-2H3.
What are the key properties of N,N-bis[(2-bromo-5-methoxyphenyl)methyl]benzenesulfonamide?
N,N-bis[(2-bromo-5-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 555.29 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(2-bromo-5-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 134832034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).