N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide

C15H16BrNO3S — CID 100729224

IUPACN-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccccc2Br)cc1C
InChIInChI=1S/C15H16BrNO3S/c1-10-9-15(11(2)8-14(10)20-3)21(18,19)17-13-7-5-4-6-12(13)16/h4-9,17H,1-3H3
InChIKeyRUQJOAKBMVSCDA-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.88
Rot. Bonds4

About N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide

N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 100729224) has the molecular formula C15H16BrNO3S and a molecular weight of 370.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
PubChem CID100729224
Molecular FormulaC15H16BrNO3S
Molecular Weight370.27 g/mol
Exact Mass369.00
IUPAC NameN-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2ccccc2Br)cc1C
InChIInChI=1S/C15H16BrNO3S/c1-10-9-15(11(2)8-14(10)20-3)21(18,19)17-13-7-5-4-6-12(13)16/h4-9,17H,1-3H3
InChIKeyRUQJOAKBMVSCDA-UHFFFAOYSA-N
XLogP3.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methanesulfonamido)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113093443
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 2236619
N-(2-bromophenyl)-2-methoxybenzenesulfonamide
CID 47104314
2-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 94619748
N-[2-(methanesulfonamido)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113093442
2-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzamide
CID 91824586
4-bromo-N-(2-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 163343274
4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 16644702
N-(2-cyanophenyl)-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 110758865
N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 112846379
N-(2-bromo-4-methylphenyl)-2-methoxybenzenesulfonamide
CID 47104436
2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 35506490

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide (CID 100729224) is N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2ccccc2Br)cc1C.
What is the InChIKey of N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is RUQJOAKBMVSCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3S/c1-10-9-15(11(2)8-14(10)20-3)21(18,19)17-13-7-5-4-6-12(13)16/h4-9,17H,1-3H3.
What are the key properties of N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 100729224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).