3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide

C14H14BrClN2O2S — CID 106606532

IUPAC3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
SMILESCNCc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H14BrClN2O2S/c1-17-9-10-4-2-3-5-14(10)18-21(19,20)11-6-7-13(16)12(15)8-11/h2-8,17-18H,9H2,1H3
InChIKeyNPPDPSFPAFPXAD-UHFFFAOYSA-N
MW389.70 g/mol
LogP3.62
Rot. Bonds5

About 3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide

3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide (PubChem CID 106606532) has the molecular formula C14H14BrClN2O2S and a molecular weight of 389.70 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
PubChem CID106606532
Molecular FormulaC14H14BrClN2O2S
Molecular Weight389.70 g/mol
Exact Mass387.96
IUPAC Name3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
SMILESCNCc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H14BrClN2O2S/c1-17-9-10-4-2-3-5-14(10)18-21(19,20)11-6-7-13(16)12(15)8-11/h2-8,17-18H,9H2,1H3
InChIKeyNPPDPSFPAFPXAD-UHFFFAOYSA-N
XLogP3.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.70
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606048
N-[2-(aminomethyl)phenyl]-3-bromo-4-chlorobenzenesulfonamide
CID 106606716
4-bromo-3-fluoro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 107650090
3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106061900
2,5-dichloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606052
3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106610688
N-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide
CID 106062122
5-chloro-2-methyl-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606096
4-bromo-N-(2-ethylphenyl)-3-fluorobenzenesulfonamide
CID 97161968
N-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106061147
5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide
CID 43606054
N-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide
CID 47308881

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide (CID 106606532) is 3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide is CNCc1ccccc1NS(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide?
The InChIKey is NPPDPSFPAFPXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2S/c1-17-9-10-4-2-3-5-14(10)18-21(19,20)11-6-7-13(16)12(15)8-11/h2-8,17-18H,9H2,1H3.
What are the key properties of 3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide?
3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide has a molecular weight of 389.70 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[2-(methylaminomethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 106606532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).