N-(2-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide

C15H17BrN2O2S — CID 107328567

IUPACN-(2-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
SMILESCNc1cc(C)c(S(=O)(=O)Nc2ccccc2Br)c(C)c1
InChIInChI=1S/C15H17BrN2O2S/c1-10-8-12(17-3)9-11(2)15(10)21(19,20)18-14-7-5-4-6-13(14)16/h4-9,17-18H,1-3H3
InChIKeyDVRMUVICXQGWFE-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.91
Rot. Bonds4

About N-(2-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide

N-(2-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide (PubChem CID 107328567) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
PubChem CID107328567
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC NameN-(2-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
SMILESCNc1cc(C)c(S(=O)(=O)Nc2ccccc2Br)c(C)c1
InChIInChI=1S/C15H17BrN2O2S/c1-10-8-12(17-3)9-11(2)15(10)21(19,20)18-14-7-5-4-6-13(14)16/h4-9,17-18H,1-3H3
InChIKeyDVRMUVICXQGWFE-UHFFFAOYSA-N
XLogP3.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
CID 107328569
N-(2-bromophenyl)-2,6-difluorobenzenesulfonamide
CID 2648231
2-bromo-N-(methylsulfamoyl)aniline
CID 71126560
N-(2-bromophenyl)-2,3,4-trimethylbenzenesulfonamide
CID 21210098
2,6-dimethyl-4-(methylamino)-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 107328600
N-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide
CID 47308881
N-[3-bromo-4-[(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl]-2,4,6-trimethylbenzenesulfonamide
CID 5241230
N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 1087335
N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100729224
N-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327344
4-(aminomethyl)-N-(2-bromophenyl)-2,5-dimethylfuran-3-sulfonamide
CID 106061164
1,3-bis[2-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]urea
CID 170548860

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide?
The IUPAC name of N-(2-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide (CID 107328567) is N-(2-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide?
The canonical SMILES for N-(2-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide is CNc1cc(C)c(S(=O)(=O)Nc2ccccc2Br)c(C)c1.
What is the InChIKey of N-(2-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide?
The InChIKey is DVRMUVICXQGWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-10-8-12(17-3)9-11(2)15(10)21(19,20)18-14-7-5-4-6-13(14)16/h4-9,17-18H,1-3H3.
What are the key properties of N-(2-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide?
N-(2-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide has a molecular weight of 369.28 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 107328567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).