N-[(4-bromo-2-pyridinyl)sulfonyl]-2-propan-2-yloxyacetamide

C10H13BrN2O4S — CID 138005980

IUPACN-[(4-bromo-2-pyridinyl)sulfonyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NS(=O)(=O)c1cc(Br)ccn1
InChIInChI=1S/C10H13BrN2O4S/c1-7(2)17-6-9(14)13-18(15,16)10-5-8(11)3-4-12-10/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyTZAZYOZAIGTVFO-UHFFFAOYSA-N
MW337.20 g/mol
LogP1.07
Rot. Bonds5

About N-[(4-bromo-2-pyridinyl)sulfonyl]-2-propan-2-yloxyacetamide

N-[(4-bromo-2-pyridinyl)sulfonyl]-2-propan-2-yloxyacetamide (PubChem CID 138005980) has the molecular formula C10H13BrN2O4S and a molecular weight of 337.20 g/mol. Its IUPAC name is N-[(4-bromo-2-pyridinyl)sulfonyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(4-bromo-2-pyridinyl)sulfonyl]-2-propan-2-yloxyacetamide
PubChem CID138005980
Molecular FormulaC10H13BrN2O4S
Molecular Weight337.20 g/mol
Exact Mass335.98
IUPAC NameN-[(4-bromo-2-pyridinyl)sulfonyl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NS(=O)(=O)c1cc(Br)ccn1
InChIInChI=1S/C10H13BrN2O4S/c1-7(2)17-6-9(14)13-18(15,16)10-5-8(11)3-4-12-10/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyTZAZYOZAIGTVFO-UHFFFAOYSA-N
XLogP1.07
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane
CID 174344369
2-propan-2-yloxy-N-(1H-pyrazol-5-yl)acetamide
CID 112687554
2-bromo-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride
CID 112602478
4-bromo-3-[(4-bromo-2-pyridinyl)sulfonylamino]pyridine-2-sulfonyl chloride
CID 167313550
N-(4-bromophenyl)sulfonyl-3-methylbutanamide
CID 47108774
N-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide
CID 1034415
N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyacetamide
CID 47414086
4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide
CID 113429309
1-(3-bromophenyl)-3-propan-2-yloxypropan-2-one
CID 79566730
2-(4-bromophenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]acetamide
CID 166369763
N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-propan-2-yloxyacetamide
CID 47413216
N'-methyl-2-propan-2-yloxyacetohydrazide
CID 116820653

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-pyridinyl)sulfonyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[(4-bromo-2-pyridinyl)sulfonyl]-2-propan-2-yloxyacetamide (CID 138005980) is N-[(4-bromo-2-pyridinyl)sulfonyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[(4-bromo-2-pyridinyl)sulfonyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[(4-bromo-2-pyridinyl)sulfonyl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NS(=O)(=O)c1cc(Br)ccn1.
What is the InChIKey of N-[(4-bromo-2-pyridinyl)sulfonyl]-2-propan-2-yloxyacetamide?
The InChIKey is TZAZYOZAIGTVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O4S/c1-7(2)17-6-9(14)13-18(15,16)10-5-8(11)3-4-12-10/h3-5,7H,6H2,1-2H3,(H,13,14).
What are the key properties of N-[(4-bromo-2-pyridinyl)sulfonyl]-2-propan-2-yloxyacetamide?
N-[(4-bromo-2-pyridinyl)sulfonyl]-2-propan-2-yloxyacetamide has a molecular weight of 337.20 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-pyridinyl)sulfonyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 138005980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).