N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide

C14H14BrNO2S — CID 13394525

IUPACN-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H14BrNO2S/c1-11-3-9-14(10-4-11)19(17,18)16(2)13-7-5-12(15)6-8-13/h3-10H,1-2H3
InChIKeyCOOAXOWLLSOSNL-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.58
Rot. Bonds3

About N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide

N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide (PubChem CID 13394525) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide
PubChem CID13394525
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC NameN-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H14BrNO2S/c1-11-3-9-14(10-4-11)19(17,18)16(2)13-7-5-12(15)6-8-13/h3-10H,1-2H3
InChIKeyCOOAXOWLLSOSNL-UHFFFAOYSA-N
XLogP3.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502341
N-(4-bromophenyl)-N-methylbenzenesulfonamide
CID 5171346
4-bromo-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
CID 62001773
N-(4-bromophenyl)-N-ethynyl-4-methylbenzenesulfonamide
CID 166070307
N-[4-(methanesulfonamido)phenyl]-N,4-dimethylbenzenesulfonamide
CID 1306381
4-[methyl-(4-methylphenyl)sulfonylamino]benzenecarbothioamide
CID 62970870
4-bromo-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide
CID 20704088
N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide
CID 47387538
1-(4-bromophenyl)sulfonyl-4-methylbenzene
CID 11426909
N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide
CID 141087488
N-[2-(4-bromophenyl)ethynyl]-N,4-dimethylbenzenesulfonamide
CID 154730457

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide (CID 13394525) is N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is COOAXOWLLSOSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-11-3-9-14(10-4-11)19(17,18)16(2)13-7-5-12(15)6-8-13/h3-10H,1-2H3.
What are the key properties of N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide?
N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 340.24 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 13394525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).