N-(4-bromophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide

C19H17BrN2O3S — CID 164610048

IUPACN-(4-bromophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide
SMILESCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C19H17BrN2O3S/c1-22(16-8-6-15(20)7-9-16)26(23,24)17-10-4-13(5-11-17)18-12-21-19(25-18)14-2-3-14/h4-12,14H,2-3H2,1H3
InChIKeyGXZQGHDRSJQNKH-UHFFFAOYSA-N
MW433.33 g/mol
LogP4.81
Rot. Bonds5

About N-(4-bromophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide

N-(4-bromophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide (PubChem CID 164610048) has the molecular formula C19H17BrN2O3S and a molecular weight of 433.33 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide
PubChem CID164610048
Molecular FormulaC19H17BrN2O3S
Molecular Weight433.33 g/mol
Exact Mass432.01
IUPAC NameN-(4-bromophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide
SMILESCN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1
InChIInChI=1S/C19H17BrN2O3S/c1-22(16-8-6-15(20)7-9-16)26(23,24)17-10-4-13(5-11-17)18-12-21-19(25-18)14-2-3-14/h4-12,14H,2-3H2,1H3
InChIKeyGXZQGHDRSJQNKH-UHFFFAOYSA-N
XLogP4.81
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.33
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-cyclopropyl-1,3-oxazol-5-yl)-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 20959170
4-(2-cyclobutyl-1,3-oxazol-5-yl)benzenesulfonyl chloride
CID 56723881
N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide
CID 13394525
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 162394822
N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502341
N-(4-bromophenyl)-N-methylbenzenesulfonamide
CID 5171346
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 162395831
2-cyclobutyl-5-(4-methylphenyl)-1,3-oxazole
CID 142768688
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 20959096
N-(2-chlorophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20959107
4-bromo-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
CID 62001773
5-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-benzoxazepine
CID 134153414

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide?
The IUPAC name of N-(4-bromophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide (CID 164610048) is N-(4-bromophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide is CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide?
The InChIKey is GXZQGHDRSJQNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3S/c1-22(16-8-6-15(20)7-9-16)26(23,24)17-10-4-13(5-11-17)18-12-21-19(25-18)14-2-3-14/h4-12,14H,2-3H2,1H3.
What are the key properties of N-(4-bromophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide?
N-(4-bromophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide has a molecular weight of 433.33 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 164610048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).