N-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide

C15H17BrN2O2S — CID 107328569

IUPACN-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
SMILESCNc1cc(C)c(S(=O)(=O)Nc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C15H17BrN2O2S/c1-10-7-14(17-3)8-11(2)15(10)21(19,20)18-13-6-4-5-12(16)9-13/h4-9,17-18H,1-3H3
InChIKeyMCVJXMRMIIBCQH-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.91
Rot. Bonds4

About N-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide

N-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide (PubChem CID 107328569) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
PubChem CID107328569
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC NameN-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
SMILESCNc1cc(C)c(S(=O)(=O)Nc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C15H17BrN2O2S/c1-10-7-14(17-3)8-11(2)15(10)21(19,20)18-13-6-4-5-12(16)9-13/h4-9,17-18H,1-3H3
InChIKeyMCVJXMRMIIBCQH-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-(2-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
CID 107328567
2-amino-N-(3-bromophenyl)-6-methylbenzenesulfonamide
CID 43452387
3-[(3-bromophenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747592
3-bromo-N-[(3-bromophenyl)sulfamoyl]aniline
CID 132513071
N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 1087335
4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide
CID 43257573
3-[(3-bromophenyl)sulfamoyl]-4-methylbenzoate
CID 8822291
4-bromo-N-(3-bromophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 5092209
N-(3-bromophenyl)-2-(methylamino)pyridine-4-sulfonamide
CID 62144171
1-bromo-3-(sulfamoylamino)benzene
CID 24707479
N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide
CID 26951692
4-(ethylamino)-2,6-dimethyl-N-phenylbenzenesulfonamide
CID 107328484

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide?
The IUPAC name of N-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide (CID 107328569) is N-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide?
The canonical SMILES for N-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide is CNc1cc(C)c(S(=O)(=O)Nc2cccc(Br)c2)c(C)c1.
What is the InChIKey of N-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide?
The InChIKey is MCVJXMRMIIBCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-10-7-14(17-3)8-11(2)15(10)21(19,20)18-13-6-4-5-12(16)9-13/h4-9,17-18H,1-3H3.
What are the key properties of N-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide?
N-(3-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-(3-bromophenyl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 107328569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).