5-(aminomethyl)-3-bromo-2-methyl-N-phenylbenzenesulfonamide

C14H15BrN2O2S — CID 81488210

IUPAC5-(aminomethyl)-3-bromo-2-methyl-N-phenylbenzenesulfonamide
SMILESCc1c(Br)cc(CN)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C14H15BrN2O2S/c1-10-13(15)7-11(9-16)8-14(10)20(18,19)17-12-5-3-2-4-6-12/h2-8,17H,9,16H2,1H3
InChIKeyFVGBPSMGNVEAPC-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.02
Rot. Bonds4

About 5-(aminomethyl)-3-bromo-2-methyl-N-phenylbenzenesulfonamide

5-(aminomethyl)-3-bromo-2-methyl-N-phenylbenzenesulfonamide (PubChem CID 81488210) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 5-(aminomethyl)-3-bromo-2-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-3-bromo-2-methyl-N-phenylbenzenesulfonamide
PubChem CID81488210
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name5-(aminomethyl)-3-bromo-2-methyl-N-phenylbenzenesulfonamide
SMILESCc1c(Br)cc(CN)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C14H15BrN2O2S/c1-10-13(15)7-11(9-16)8-14(10)20(18,19)17-12-5-3-2-4-6-12/h2-8,17H,9,16H2,1H3
InChIKeyFVGBPSMGNVEAPC-UHFFFAOYSA-N
XLogP3.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-3-bromo-N-(3-iodophenyl)-2-methylbenzenesulfonamide
CID 106029454
5-(aminomethyl)-3-bromo-N-(3-bromophenyl)-2-methylbenzenesulfonamide
CID 106061602
5-(aminomethyl)-3-bromo-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081247
5-(aminomethyl)-3-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 81481745
N-[3-(aminomethyl)phenyl]-2-bromobenzenesulfonamide
CID 63254732
5-(aminomethyl)-3-bromo-2-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 106059205
5-(aminomethyl)-3-bromo-2-methyl-N-(1-methylcyclopentyl)benzenesulfonamide
CID 81487837
5-(aminomethyl)-3-bromo-2-methyl-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 106073787
2,4,5-trimethyl-N-phenylbenzenesulfonamide
CID 35725783
5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide
CID 106061933
5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054607
5-(aminomethyl)-3-bromo-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106433770

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-bromo-2-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-3-bromo-2-methyl-N-phenylbenzenesulfonamide (CID 81488210) is 5-(aminomethyl)-3-bromo-2-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-3-bromo-2-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-3-bromo-2-methyl-N-phenylbenzenesulfonamide is Cc1c(Br)cc(CN)cc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 5-(aminomethyl)-3-bromo-2-methyl-N-phenylbenzenesulfonamide?
The InChIKey is FVGBPSMGNVEAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-10-13(15)7-11(9-16)8-14(10)20(18,19)17-12-5-3-2-4-6-12/h2-8,17H,9,16H2,1H3.
What are the key properties of 5-(aminomethyl)-3-bromo-2-methyl-N-phenylbenzenesulfonamide?
5-(aminomethyl)-3-bromo-2-methyl-N-phenylbenzenesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-bromo-2-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 81488210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).