N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(dimethylamino)-2-methylbenzenesulfonamide

C13H16BrN3O3S — CID 10714421

IUPACN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(dimethylamino)-2-methylbenzenesulfonamide
SMILESCc1ccc(N(C)C)cc1S(=O)(=O)Nc1onc(C)c1Br
InChIInChI=1S/C13H16BrN3O3S/c1-8-5-6-10(17(3)4)7-11(8)21(18,19)16-13-12(14)9(2)15-20-13/h5-7,16H,1-4H3
InChIKeyAFGBVUIGWBNMMP-UHFFFAOYSA-N
MW374.26 g/mol
LogP2.92
Rot. Bonds4

About N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(dimethylamino)-2-methylbenzenesulfonamide

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(dimethylamino)-2-methylbenzenesulfonamide (PubChem CID 10714421) has the molecular formula C13H16BrN3O3S and a molecular weight of 374.26 g/mol. Its IUPAC name is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(dimethylamino)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(dimethylamino)-2-methylbenzenesulfonamide
PubChem CID10714421
Molecular FormulaC13H16BrN3O3S
Molecular Weight374.26 g/mol
Exact Mass373.01
IUPAC NameN-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(dimethylamino)-2-methylbenzenesulfonamide
SMILESCc1ccc(N(C)C)cc1S(=O)(=O)Nc1onc(C)c1Br
InChIInChI=1S/C13H16BrN3O3S/c1-8-5-6-10(17(3)4)7-11(8)21(18,19)16-13-12(14)9(2)15-20-13/h5-7,16H,1-4H3
InChIKeyAFGBVUIGWBNMMP-UHFFFAOYSA-N
XLogP2.92
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
CID 15453209
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,4,5-trichlorobenzenesulfonamide
CID 18617286
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,3-dichlorobenzenesulfonamide
CID 18617376
4-(dimethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 14973488
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-nitrobenzenesulfonamide
CID 22411376
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-3-chlorobenzenesulfonamide
CID 18617374
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-nitrobenzenesulfonamide
CID 18617344
4-(1,3-benzodioxol-5-yl)-N-(4-bromo-3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 162219744
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(2,4-dimethylphenoxy)methyl]thiophene-3-sulfonamide
CID 23445379
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-4-(4-methoxyphenyl)benzenesulfonamide
CID 15453187
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)-4-phenylbenzenesulfonamide
CID 174377463
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-(2-phenylethenyl)thiophene-3-sulfonamide
CID 54011826

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(dimethylamino)-2-methylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(dimethylamino)-2-methylbenzenesulfonamide (CID 10714421) is N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(dimethylamino)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(dimethylamino)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(dimethylamino)-2-methylbenzenesulfonamide is Cc1ccc(N(C)C)cc1S(=O)(=O)Nc1onc(C)c1Br.
What is the InChIKey of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(dimethylamino)-2-methylbenzenesulfonamide?
The InChIKey is AFGBVUIGWBNMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3S/c1-8-5-6-10(17(3)4)7-11(8)21(18,19)16-13-12(14)9(2)15-20-13/h5-7,16H,1-4H3.
What are the key properties of N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(dimethylamino)-2-methylbenzenesulfonamide?
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(dimethylamino)-2-methylbenzenesulfonamide has a molecular weight of 374.26 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-5-(dimethylamino)-2-methylbenzenesulfonamide is sourced from PubChem (CID 10714421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).