2-bromo-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide

C15H16BrNO4S — CID 45479960

IUPAC2-bromo-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2ccccc2Br)c1OC
InChIInChI=1S/C15H16BrNO4S/c1-20-13-8-5-6-11(15(13)21-2)10-17-22(18,19)14-9-4-3-7-12(14)16/h3-9,17H,10H2,1-2H3
InChIKeyVKSBVNCSOGVZTN-UHFFFAOYSA-N
MW386.27 g/mol
LogP2.94
Rot. Bonds6

About 2-bromo-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide

2-bromo-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide (PubChem CID 45479960) has the molecular formula C15H16BrNO4S and a molecular weight of 386.27 g/mol. Its IUPAC name is 2-bromo-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide
PubChem CID45479960
Molecular FormulaC15H16BrNO4S
Molecular Weight386.27 g/mol
Exact Mass385.00
IUPAC Name2-bromo-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2ccccc2Br)c1OC
InChIInChI=1S/C15H16BrNO4S/c1-20-13-8-5-6-11(15(13)21-2)10-17-22(18,19)14-9-4-3-7-12(14)16/h3-9,17H,10H2,1-2H3
InChIKeyVKSBVNCSOGVZTN-UHFFFAOYSA-N
XLogP2.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-bromo-4,6-difluorobenzenesulfonamide
CID 2564141
2-bromo-4-fluoro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 46902208
2,5-dibromo-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide
CID 46902211
2,5-dibromo-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 16302699
2-bromo-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 8317140
N-(3,4-dimethoxybenzyl)benzenesulfonamide
CID 4584276
4-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 2164059
2-Bromo-N-(4-methoxybenzyl)benzenesulfonamide
CID 5014696
2-bromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 31060193
Methyl 3-[(2-bromophenyl)sulfonyl-[(2,3-dimethoxyphenyl)methyl]amino]propanoate
CID 46902132
2-bromo-N-[(2,5-dimethoxyphenyl)methyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 46902134
N-benzyl-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 1184065

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide (CID 45479960) is 2-bromo-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide is COc1cccc(CNS(=O)(=O)c2ccccc2Br)c1OC.
What is the InChIKey of 2-bromo-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is VKSBVNCSOGVZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO4S/c1-20-13-8-5-6-11(15(13)21-2)10-17-22(18,19)14-9-4-3-7-12(14)16/h3-9,17H,10H2,1-2H3.
What are the key properties of 2-bromo-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide?
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 386.27 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2,3-dimethoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 45479960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).