N-(3-bromophenyl)-3,4-dimethoxybenzenesulfonamide

C14H14BrNO4S — CID 1141967

IUPACN-(3-bromophenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1OC
InChIInChI=1S/C14H14BrNO4S/c1-19-13-7-6-12(9-14(13)20-2)21(17,18)16-11-5-3-4-10(15)8-11/h3-9,16H,1-2H3
InChIKeySKKIJXBAMLGTQM-UHFFFAOYSA-N
MW372.24 g/mol
LogP3.27
Rot. Bonds5

About N-(3-bromophenyl)-3,4-dimethoxybenzenesulfonamide

N-(3-bromophenyl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 1141967) has the molecular formula C14H14BrNO4S and a molecular weight of 372.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3,4-dimethoxybenzenesulfonamide
PubChem CID1141967
Molecular FormulaC14H14BrNO4S
Molecular Weight372.24 g/mol
Exact Mass370.98
IUPAC NameN-(3-bromophenyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1OC
InChIInChI=1S/C14H14BrNO4S/c1-19-13-7-6-12(9-14(13)20-2)21(17,18)16-11-5-3-4-10(15)8-11/h3-9,16H,1-2H3
InChIKeySKKIJXBAMLGTQM-UHFFFAOYSA-N
XLogP3.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.24
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(3-bromophenyl)-3,4-dimethoxybenzenesulfonamide (CID 1141967) is N-(3-bromophenyl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(3-bromophenyl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1OC.
What is the InChIKey of N-(3-bromophenyl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is SKKIJXBAMLGTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO4S/c1-19-13-7-6-12(9-14(13)20-2)21(17,18)16-11-5-3-4-10(15)8-11/h3-9,16H,1-2H3.
What are the key properties of N-(3-bromophenyl)-3,4-dimethoxybenzenesulfonamide?
N-(3-bromophenyl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 372.24 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 1141967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).