N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide

C14H15BrN2O2S — CID 63334960

IUPACN-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C14H15BrN2O2S/c1-10-3-4-12(9-14(10)15)17-20(18,19)13-7-5-11(16-2)6-8-13/h3-9,16-17H,1-2H3
InChIKeyJPPXDOYENYWEAE-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.60
Rot. Bonds4

About N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide

N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide (PubChem CID 63334960) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide
PubChem CID63334960
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC NameN-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C14H15BrN2O2S/c1-10-3-4-12(9-14(10)15)17-20(18,19)13-7-5-11(16-2)6-8-13/h3-9,16-17H,1-2H3
InChIKeyJPPXDOYENYWEAE-UHFFFAOYSA-N
XLogP3.60
TPSA58.20 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 ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
CID 106606067
N-(3-bromo-4-methylphenyl)-4-nitrobenzenesulfonamide;ethane
CID 156650694
N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 43332040
3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 3708859
N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110421824
4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide
CID 46555814
N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 55676131
N-(2,5-dibromophenyl)-4-(methylamino)benzenesulfonamide
CID 61468471
3-(aminomethyl)-N-(3-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 106064431
4-N-(3-bromo-4-methylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027243
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 63421623
N-(3-bromo-4-methylphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 55638935

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide (CID 63334960) is N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide is CNc1ccc(S(=O)(=O)Nc2ccc(C)c(Br)c2)cc1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide?
The InChIKey is JPPXDOYENYWEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-10-3-4-12(9-14(10)15)17-20(18,19)13-7-5-11(16-2)6-8-13/h3-9,16-17H,1-2H3.
What are the key properties of N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide?
N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide has a molecular weight of 355.26 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 63334960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).