1-(2-amino-4,6-dichlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide

C11H13Cl2N3O4S — CID 61140373

IUPAC1-(2-amino-4,6-dichlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1S(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2N3O4S/c12-5-1-7(13)10(8(14)2-5)21(19,20)16-4-6(17)3-9(16)11(15)18/h1-2,6,9,17H,3-4,14H2,(H2,15,18)
InChIKeyYFPYLPBHVFMVAJ-UHFFFAOYSA-N
MW354.22 g/mol
LogP0.18
Rot. Bonds3

About 1-(2-amino-4,6-dichlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide

1-(2-amino-4,6-dichlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 61140373) has the molecular formula C11H13Cl2N3O4S and a molecular weight of 354.22 g/mol. Its IUPAC name is 1-(2-amino-4,6-dichlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4,6-dichlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
PubChem CID61140373
Molecular FormulaC11H13Cl2N3O4S
Molecular Weight354.22 g/mol
Exact Mass353.00
IUPAC Name1-(2-amino-4,6-dichlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1S(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2N3O4S/c12-5-1-7(13)10(8(14)2-5)21(19,20)16-4-6(17)3-9(16)11(15)18/h1-2,6,9,17H,3-4,14H2,(H2,15,18)
InChIKeyYFPYLPBHVFMVAJ-UHFFFAOYSA-N
XLogP0.18
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-5-chloro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 114379175
1-(2-amino-3,6-dimethylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 103171274
1-(2-amino-4,6-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 62918182
1-(2-amino-4,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 43256211
(2S)-1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 45291217
1-(3-amino-4-fluoro-5-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 115421373
1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 116530113
4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 60952079
(2S,4R)-1-(2-amino-5-chloro-4-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 24738114
4-hydroxy-1-sulfamoylpyrrolidine-2-carboxamide
CID 112689179
3,5-dichloro-2-(4-methylpiperazin-1-yl)sulfonylaniline
CID 43255653
(2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 126825870

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,6-dichlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-amino-4,6-dichlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide (CID 61140373) is 1-(2-amino-4,6-dichlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-4,6-dichlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-4,6-dichlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide is NC(=O)C1CC(O)CN1S(=O)(=O)c1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 1-(2-amino-4,6-dichlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is YFPYLPBHVFMVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O4S/c12-5-1-7(13)10(8(14)2-5)21(19,20)16-4-6(17)3-9(16)11(15)18/h1-2,6,9,17H,3-4,14H2,(H2,15,18).
What are the key properties of 1-(2-amino-4,6-dichlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide?
1-(2-amino-4,6-dichlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 354.22 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,6-dichlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61140373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).