3-[(3-bromo-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide

C15H17BrN2O2S — CID 105401205

IUPAC3-[(3-bromo-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NCc2ccc(C)c(Br)c2)c1
InChIInChI=1S/C15H17BrN2O2S/c1-11-6-7-12(8-15(11)16)10-18-13-4-3-5-14(9-13)21(19,20)17-2/h3-9,17-18H,10H2,1-2H3
InChIKeyBIXGPGBSHQLEGE-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.28
Rot. Bonds5

About 3-[(3-bromo-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide

3-[(3-bromo-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide (PubChem CID 105401205) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 3-[(3-bromo-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3-bromo-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide
PubChem CID105401205
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name3-[(3-bromo-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NCc2ccc(C)c(Br)c2)c1
InChIInChI=1S/C15H17BrN2O2S/c1-11-6-7-12(8-15(11)16)10-18-13-4-3-5-14(9-13)21(19,20)17-2/h3-9,17-18H,10H2,1-2H3
InChIKeyBIXGPGBSHQLEGE-UHFFFAOYSA-N
XLogP3.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chloro-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide
CID 106816341
3-(benzylamino)-N-methylbenzenesulfonamide
CID 43688532
3-[(3,4-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688481
3-[(3-bromofuran-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 106885167
3-[(6-bromo-2-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 115937915
5-[(3-bromophenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 43717493
N-methyl-3-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 66399790
3-[(2,6-dichlorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688530
3-[(1-ethylpyrrol-3-yl)methylamino]-N-methylbenzenesulfonamide
CID 66416292
methyl N-[3-[(3-bromo-4-methylphenyl)methylamino]phenyl]carbamate
CID 115876107
3-[(2,6-difluorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 43688489
N-[(4-bromophenyl)methyl]-3-methylsulfonylaniline
CID 60699362

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[(3-bromo-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide (CID 105401205) is 3-[(3-bromo-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(3-bromo-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[(3-bromo-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(NCc2ccc(C)c(Br)c2)c1.
What is the InChIKey of 3-[(3-bromo-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide?
The InChIKey is BIXGPGBSHQLEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-11-6-7-12(8-15(11)16)10-18-13-4-3-5-14(9-13)21(19,20)17-2/h3-9,17-18H,10H2,1-2H3.
What are the key properties of 3-[(3-bromo-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide?
3-[(3-bromo-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 105401205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).