4-bromo-N-(oxan-4-yl)-3-(oxan-4-ylamino)pyridine-2-sulfonamide

C15H22BrN3O4S — CID 167868150

IUPAC4-bromo-N-(oxan-4-yl)-3-(oxan-4-ylamino)pyridine-2-sulfonamide
SMILESO=S(=O)(NC1CCOCC1)c1nccc(Br)c1NC1CCOCC1
InChIInChI=1S/C15H22BrN3O4S/c16-13-1-6-17-15(14(13)18-11-2-7-22-8-3-11)24(20,21)19-12-4-9-23-10-5-12/h1,6,11-12,18-19H,2-5,7-10H2
InChIKeyDOAWXXRWSUYFOJ-UHFFFAOYSA-N
MW420.33 g/mol
LogP1.89
Rot. Bonds5

About 4-bromo-N-(oxan-4-yl)-3-(oxan-4-ylamino)pyridine-2-sulfonamide

4-bromo-N-(oxan-4-yl)-3-(oxan-4-ylamino)pyridine-2-sulfonamide (PubChem CID 167868150) has the molecular formula C15H22BrN3O4S and a molecular weight of 420.33 g/mol. Its IUPAC name is 4-bromo-N-(oxan-4-yl)-3-(oxan-4-ylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-bromo-N-(oxan-4-yl)-3-(oxan-4-ylamino)pyridine-2-sulfonamide
PubChem CID167868150
Molecular FormulaC15H22BrN3O4S
Molecular Weight420.33 g/mol
Exact Mass419.05
IUPAC Name4-bromo-N-(oxan-4-yl)-3-(oxan-4-ylamino)pyridine-2-sulfonamide
SMILESO=S(=O)(NC1CCOCC1)c1nccc(Br)c1NC1CCOCC1
InChIInChI=1S/C15H22BrN3O4S/c16-13-1-6-17-15(14(13)18-11-2-7-22-8-3-11)24(20,21)19-12-4-9-23-10-5-12/h1,6,11-12,18-19H,2-5,7-10H2
InChIKeyDOAWXXRWSUYFOJ-UHFFFAOYSA-N
XLogP1.89
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methylamino)-N-(oxan-4-yl)pyridine-4-sulfonamide
CID 62147724
4-bromo-3-nitro-N-(oxan-4-yl)benzenesulfonamide
CID 90100934
3-bromo-4-(oxan-4-ylsulfamoyl)benzoic acid
CID 43610009
3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726881
6-bromo-N-(oxepan-4-yl)pyridin-3-amine
CID 104718841
3-N-(oxan-4-yl)benzene-1,3-disulfonamide
CID 43610535
3-chloro-N-cyclopropylpyridine-2-sulfonamide
CID 71646489
2-methylsulfonyl-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-8-amine
CID 118322992
5-(aminomethyl)-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 43610440
N-cyclopropyl-3-nitropyridine-2-sulfonamide
CID 71650427
N-(2,4,6-tribromophenyl)oxepan-4-amine
CID 65076459
2-(oxan-4-ylsulfamoyl)benzenesulfonyl chloride
CID 164863531

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(oxan-4-yl)-3-(oxan-4-ylamino)pyridine-2-sulfonamide?
The IUPAC name of 4-bromo-N-(oxan-4-yl)-3-(oxan-4-ylamino)pyridine-2-sulfonamide (CID 167868150) is 4-bromo-N-(oxan-4-yl)-3-(oxan-4-ylamino)pyridine-2-sulfonamide.
What is the SMILES notation for 4-bromo-N-(oxan-4-yl)-3-(oxan-4-ylamino)pyridine-2-sulfonamide?
The canonical SMILES for 4-bromo-N-(oxan-4-yl)-3-(oxan-4-ylamino)pyridine-2-sulfonamide is O=S(=O)(NC1CCOCC1)c1nccc(Br)c1NC1CCOCC1.
What is the InChIKey of 4-bromo-N-(oxan-4-yl)-3-(oxan-4-ylamino)pyridine-2-sulfonamide?
The InChIKey is DOAWXXRWSUYFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O4S/c16-13-1-6-17-15(14(13)18-11-2-7-22-8-3-11)24(20,21)19-12-4-9-23-10-5-12/h1,6,11-12,18-19H,2-5,7-10H2.
What are the key properties of 4-bromo-N-(oxan-4-yl)-3-(oxan-4-ylamino)pyridine-2-sulfonamide?
4-bromo-N-(oxan-4-yl)-3-(oxan-4-ylamino)pyridine-2-sulfonamide has a molecular weight of 420.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(oxan-4-yl)-3-(oxan-4-ylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 167868150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).