N-(4-bromophenyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

C12H13BrN2O3S — CID 20851644

IUPACN-(4-bromophenyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2O3S/c1-8-12(9(2)18-14-8)19(16,17)15(3)11-6-4-10(13)5-7-11/h4-7H,1-3H3
InChIKeyCHSONAXOYREVRR-UHFFFAOYSA-N
MW345.22 g/mol
LogP2.88
Rot. Bonds3

About N-(4-bromophenyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

N-(4-bromophenyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 20851644) has the molecular formula C12H13BrN2O3S and a molecular weight of 345.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
PubChem CID20851644
Molecular FormulaC12H13BrN2O3S
Molecular Weight345.22 g/mol
Exact Mass343.98
IUPAC NameN-(4-bromophenyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)N(C)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2O3S/c1-8-12(9(2)18-14-8)19(16,17)15(3)11-6-4-10(13)5-7-11/h4-7H,1-3H3
InChIKeyCHSONAXOYREVRR-UHFFFAOYSA-N
XLogP2.88
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(4-bromophenyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (CID 20851644) is N-(4-bromophenyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(4-bromophenyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)N(C)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is CHSONAXOYREVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3S/c1-8-12(9(2)18-14-8)19(16,17)15(3)11-6-4-10(13)5-7-11/h4-7H,1-3H3.
What are the key properties of N-(4-bromophenyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
N-(4-bromophenyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 345.22 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 20851644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).