5-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide

C11H12BrN3O3S — CID 78980153

IUPAC5-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide
SMILESCc1noc(C)c1CNS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C11H12BrN3O3S/c1-7-11(8(2)18-15-7)6-14-19(16,17)10-3-9(12)4-13-5-10/h3-5,14H,6H2,1-2H3
InChIKeyMCWKRSZCNDNUQY-UHFFFAOYSA-N
MW346.21 g/mol
LogP1.93
Rot. Bonds4

About 5-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide

5-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide (PubChem CID 78980153) has the molecular formula C11H12BrN3O3S and a molecular weight of 346.21 g/mol. Its IUPAC name is 5-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide
PubChem CID78980153
Molecular FormulaC11H12BrN3O3S
Molecular Weight346.21 g/mol
Exact Mass344.98
IUPAC Name5-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide
SMILESCc1noc(C)c1CNS(=O)(=O)c1cncc(Br)c1
InChIInChI=1S/C11H12BrN3O3S/c1-7-11(8(2)18-15-7)6-14-19(16,17)10-3-9(12)4-13-5-10/h3-5,14H,6H2,1-2H3
InChIKeyMCWKRSZCNDNUQY-UHFFFAOYSA-N
XLogP1.93
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 80711931
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 47959232
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110731011
2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(hydroxymethyl)furan-3-sulfonamide
CID 79237854
2-(4-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-5-sulfonamide
CID 166380152
5-bromo-N-[2-(2-chloroethyl)pentyl]pyridine-3-sulfonamide
CID 106118270
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylbenzenesulfonamide
CID 79238145
4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,6-difluorobenzenesulfonamide
CID 79223521
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methylamino)pyridine-3-sulfonamide
CID 79238403
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
5-bromo-N-(3,3-dimethylbutyl)pyridine-3-sulfonamide
CID 115596600
5-bromo-N-[2-(ethylamino)ethyl]pyridine-3-sulfonamide
CID 62665108

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide (CID 78980153) is 5-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide is Cc1noc(C)c1CNS(=O)(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is MCWKRSZCNDNUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O3S/c1-7-11(8(2)18-15-7)6-14-19(16,17)10-3-9(12)4-13-5-10/h3-5,14H,6H2,1-2H3.
What are the key properties of 5-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide?
5-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 346.21 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 78980153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).