N-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide

C14H15BrN2O2S — CID 106061147

IUPACN-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C14H15BrN2O2S/c1-16-10-11-5-4-6-12(9-11)20(18,19)17-14-8-3-2-7-13(14)15/h2-9,16-17H,10H2,1H3
InChIKeyDDLKMTUAJPRPMS-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.97
Rot. Bonds5

About N-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide

N-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 106061147) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide
PubChem CID106061147
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC NameN-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C14H15BrN2O2S/c1-16-10-11-5-4-6-12(9-11)20(18,19)17-14-8-3-2-7-13(14)15/h2-9,16-17H,10H2,1H3
InChIKeyDDLKMTUAJPRPMS-UHFFFAOYSA-N
XLogP2.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-difluorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106017374
N-methyl-1-(3-methylsulfonylphenyl)methanamine
CID 58293040
N-(4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106029553
3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063067
N-(2-chloro-4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106006523
N-(4-chlorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106060719
N-(4-fluorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106061658
N-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106090021
3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide
CID 106060159
3-(methylaminomethyl)-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 106057745
3-(methylaminomethyl)benzenesulfonic acid
CID 19897302
N-[2-(dimethylamino)ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 114138869

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide (CID 106061147) is N-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide is CNCc1cccc(S(=O)(=O)Nc2ccccc2Br)c1.
What is the InChIKey of N-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is DDLKMTUAJPRPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-16-10-11-5-4-6-12(9-11)20(18,19)17-14-8-3-2-7-13(14)15/h2-9,16-17H,10H2,1H3.
What are the key properties of N-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide?
N-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106061147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).