N-(2-bromo-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide

C19H19BrN2O3S — CID 20935509

IUPACN-(2-bromo-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)c(Br)c1
InChIInChI=1S/C19H19BrN2O3S/c1-11-5-8-17(16(20)9-11)22-26(23,24)18-10-15(7-6-12(18)2)19-13(3)14(4)21-25-19/h5-10,22H,1-4H3
InChIKeyBJCYSOBDWVWHJB-UHFFFAOYSA-N
MW435.34 g/mol
LogP5.14
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide

N-(2-bromo-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide (PubChem CID 20935509) has the molecular formula C19H19BrN2O3S and a molecular weight of 435.34 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
PubChem CID20935509
Molecular FormulaC19H19BrN2O3S
Molecular Weight435.34 g/mol
Exact Mass434.03
IUPAC NameN-(2-bromo-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)c(Br)c1
InChIInChI=1S/C19H19BrN2O3S/c1-11-5-8-17(16(20)9-11)22-26(23,24)18-10-15(7-6-12(18)2)19-13(3)14(4)21-25-19/h5-10,22H,1-4H3
InChIKeyBJCYSOBDWVWHJB-UHFFFAOYSA-N
XLogP5.14
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.34
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 20935537
N-(3-chloro-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935502
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 20935556
N-(5-chloro-2-methoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935532
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride
CID 53212007
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 20935455
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 20935543
N-(2-chloro-4,6-dimethoxyphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 20935555
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-[(4-fluorophenyl)methyl]-2-methylbenzenesulfonamide
CID 20935524
methyl 3-[(2-bromo-4-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35507966
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 103907913

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide (CID 20935509) is N-(2-bromo-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide?
The InChIKey is BJCYSOBDWVWHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3S/c1-11-5-8-17(16(20)9-11)22-26(23,24)18-10-15(7-6-12(18)2)19-13(3)14(4)21-25-19/h5-10,22H,1-4H3.
What are the key properties of N-(2-bromo-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide?
N-(2-bromo-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide has a molecular weight of 435.34 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 20935509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).