N-(3-bromophenyl)-5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide

C19H17BrN2O3S — CID 20959178

IUPACN-(3-bromophenyl)-5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C19H17BrN2O3S/c1-12-5-6-14(17-11-21-19(25-17)13-7-8-13)9-18(12)26(23,24)22-16-4-2-3-15(20)10-16/h2-6,9-11,13,22H,7-8H2,1H3
InChIKeyQGEZTRRJCCDUOF-UHFFFAOYSA-N
MW433.33 g/mol
LogP5.09
Rot. Bonds5

About N-(3-bromophenyl)-5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide

N-(3-bromophenyl)-5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide (PubChem CID 20959178) has the molecular formula C19H17BrN2O3S and a molecular weight of 433.33 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
PubChem CID20959178
Molecular FormulaC19H17BrN2O3S
Molecular Weight433.33 g/mol
Exact Mass432.01
IUPAC NameN-(3-bromophenyl)-5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C19H17BrN2O3S/c1-12-5-6-14(17-11-21-19(25-17)13-7-8-13)9-18(12)26(23,24)22-16-4-2-3-15(20)10-16/h2-6,9-11,13,22H,7-8H2,1H3
InChIKeyQGEZTRRJCCDUOF-UHFFFAOYSA-N
XLogP5.09
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.33
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
CID 122187167
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 20959047
2-cyclopropyl-5-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole
CID 20959137
N-(3-cyanophenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 46345289
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 20959170
N-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974284
2-cyclopropyl-5-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1,3-oxazole
CID 20959140
N-(3-chloro-2-methylphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958925
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 20959096
3-[(3-bromophenyl)sulfamoyl]-4-methylbenzoate
CID 8822291
N-(2-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958977
2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(1,2-oxazol-5-yl)phenyl]benzenesulfonamide
CID 20958983

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-bromophenyl)-5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide (CID 20959178) is N-(3-bromophenyl)-5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-bromophenyl)-5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide is Cc1ccc(-c2cnc(C3CC3)o2)cc1S(=O)(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide?
The InChIKey is QGEZTRRJCCDUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3S/c1-12-5-6-14(17-11-21-19(25-17)13-7-8-13)9-18(12)26(23,24)22-16-4-2-3-15(20)10-16/h2-6,9-11,13,22H,7-8H2,1H3.
What are the key properties of N-(3-bromophenyl)-5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide?
N-(3-bromophenyl)-5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide has a molecular weight of 433.33 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-(2-cyclopropyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 20959178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).