3-amino-N-(4-methylphenyl)sulfonyl-2-oxoazetidine-1-carboxamide

C11H13N3O4S — CID 23322466

IUPAC3-amino-N-(4-methylphenyl)sulfonyl-2-oxoazetidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CC(N)C2=O)cc1
InChIInChI=1S/C11H13N3O4S/c1-7-2-4-8(5-3-7)19(17,18)13-11(16)14-6-9(12)10(14)15/h2-5,9H,6,12H2,1H3,(H,13,16)
InChIKeyCHLZRGNTCDRLGH-UHFFFAOYSA-N
MW283.31 g/mol
LogP-0.44
Rot. Bonds2

About 3-amino-N-(4-methylphenyl)sulfonyl-2-oxoazetidine-1-carboxamide

3-amino-N-(4-methylphenyl)sulfonyl-2-oxoazetidine-1-carboxamide (PubChem CID 23322466) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 3-amino-N-(4-methylphenyl)sulfonyl-2-oxoazetidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-methylphenyl)sulfonyl-2-oxoazetidine-1-carboxamide
PubChem CID23322466
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name3-amino-N-(4-methylphenyl)sulfonyl-2-oxoazetidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CC(N)C2=O)cc1
InChIInChI=1S/C11H13N3O4S/c1-7-2-4-8(5-3-7)19(17,18)13-11(16)14-6-9(12)10(14)15/h2-5,9H,6,12H2,1H3,(H,13,16)
InChIKeyCHLZRGNTCDRLGH-UHFFFAOYSA-N
XLogP-0.44
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(4-aminophenyl)sulfonyl-2-oxoazetidine-1-carboxamide
CID 23322483
N-(4-methylphenyl)sulfonyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide
CID 25047509
(4-methylphenyl)sulfonylurea;urea
CID 160676948
N-(4-methylphenyl)sulfonyl-2,4-dioxopyrimidine-1-carboxamide
CID 4089449
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849
4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110749471
4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110748344
2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 3434753
N-(4-methylphenyl)sulfonyl-2,6-dioxocyclohexane-1-carboxamide
CID 86016968
N-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 43835525
4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide
CID 110350771
(4aS,8aR)-N-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 27055457

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methylphenyl)sulfonyl-2-oxoazetidine-1-carboxamide?
The IUPAC name of 3-amino-N-(4-methylphenyl)sulfonyl-2-oxoazetidine-1-carboxamide (CID 23322466) is 3-amino-N-(4-methylphenyl)sulfonyl-2-oxoazetidine-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-methylphenyl)sulfonyl-2-oxoazetidine-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-methylphenyl)sulfonyl-2-oxoazetidine-1-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)N2CC(N)C2=O)cc1.
What is the InChIKey of 3-amino-N-(4-methylphenyl)sulfonyl-2-oxoazetidine-1-carboxamide?
The InChIKey is CHLZRGNTCDRLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-7-2-4-8(5-3-7)19(17,18)13-11(16)14-6-9(12)10(14)15/h2-5,9H,6,12H2,1H3,(H,13,16).
What are the key properties of 3-amino-N-(4-methylphenyl)sulfonyl-2-oxoazetidine-1-carboxamide?
3-amino-N-(4-methylphenyl)sulfonyl-2-oxoazetidine-1-carboxamide has a molecular weight of 283.31 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methylphenyl)sulfonyl-2-oxoazetidine-1-carboxamide is sourced from PubChem (CID 23322466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).