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

C11H11BrClN3O4S — CID 171773740

IUPACN-[bromomethoxy-(4-chloro-5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-sulfonamide
SMILESCc1onc(C(NS(=O)(=O)c2cccnc2)OCBr)c1Cl
InChIInChI=1S/C11H11BrClN3O4S/c1-7-9(13)10(15-20-7)11(19-6-12)16-21(17,18)8-3-2-4-14-5-8/h2-5,11,16H,6H2,1H3
InChIKeyFNWUSIJFMUGXQR-UHFFFAOYSA-N
MW396.65 g/mol
LogP2.38
Rot. Bonds6

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

N-[bromomethoxy-(4-chloro-5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-sulfonamide (PubChem CID 171773740) has the molecular formula C11H11BrClN3O4S and a molecular weight of 396.65 g/mol. Its IUPAC name is N-[bromomethoxy-(4-chloro-5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[bromomethoxy-(4-chloro-5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-sulfonamide
PubChem CID171773740
Molecular FormulaC11H11BrClN3O4S
Molecular Weight396.65 g/mol
Exact Mass394.93
IUPAC NameN-[bromomethoxy-(4-chloro-5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-sulfonamide
SMILESCc1onc(C(NS(=O)(=O)c2cccnc2)OCBr)c1Cl
InChIInChI=1S/C11H11BrClN3O4S/c1-7-9(13)10(15-20-7)11(19-6-12)16-21(17,18)8-3-2-4-14-5-8/h2-5,11,16H,6H2,1H3
InChIKeyFNWUSIJFMUGXQR-UHFFFAOYSA-N
XLogP2.38
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.65
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030805
N-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 115477930
N-(4-bromo-2-ethylbutyl)pyridine-3-sulfonamide
CID 114298822
N-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide
CID 97225499
N-(2-methylpropoxy)pyridine-3-sulfonamide
CID 82715021
N-(1-amino-4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 63767546
N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 79256160
(2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid
CID 104935414
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide
CID 131899465
2-(pyridin-3-ylsulfonylamino)propanoic acid
CID 24691769
N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide
CID 71997346
N-(2-chloro-4,4-dimethylpentyl)pyridine-3-sulfonamide
CID 107158011

Frequently Asked Questions

What is the IUPAC name of N-[bromomethoxy-(4-chloro-5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[bromomethoxy-(4-chloro-5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-sulfonamide (CID 171773740) is N-[bromomethoxy-(4-chloro-5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[bromomethoxy-(4-chloro-5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[bromomethoxy-(4-chloro-5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-sulfonamide is Cc1onc(C(NS(=O)(=O)c2cccnc2)OCBr)c1Cl.
What is the InChIKey of N-[bromomethoxy-(4-chloro-5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is FNWUSIJFMUGXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3O4S/c1-7-9(13)10(15-20-7)11(19-6-12)16-21(17,18)8-3-2-4-14-5-8/h2-5,11,16H,6H2,1H3.
What are the key properties of N-[bromomethoxy-(4-chloro-5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-sulfonamide?
N-[bromomethoxy-(4-chloro-5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 396.65 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bromomethoxy-(4-chloro-5-methyl-1,2-oxazol-3-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 171773740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).