1-(3-amino-5-chloro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide

C12H16ClN3O4S — CID 114379175

IUPAC1-(3-amino-5-chloro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)N1CC(O)CC1C(N)=O
InChIInChI=1S/C12H16ClN3O4S/c1-6-9(14)2-7(13)3-11(6)21(19,20)16-5-8(17)4-10(16)12(15)18/h2-3,8,10,17H,4-5,14H2,1H3,(H2,15,18)
InChIKeyLWNAKJCYMHHYNB-UHFFFAOYSA-N
MW333.80 g/mol
LogP-0.16
Rot. Bonds3

About 1-(3-amino-5-chloro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide

1-(3-amino-5-chloro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 114379175) has the molecular formula C12H16ClN3O4S and a molecular weight of 333.80 g/mol. Its IUPAC name is 1-(3-amino-5-chloro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-amino-5-chloro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
PubChem CID114379175
Molecular FormulaC12H16ClN3O4S
Molecular Weight333.80 g/mol
Exact Mass333.06
IUPAC Name1-(3-amino-5-chloro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
SMILESCc1c(N)cc(Cl)cc1S(=O)(=O)N1CC(O)CC1C(N)=O
InChIInChI=1S/C12H16ClN3O4S/c1-6-9(14)2-7(13)3-11(6)21(19,20)16-5-8(17)4-10(16)12(15)18/h2-3,8,10,17H,4-5,14H2,1H3,(H2,15,18)
InChIKeyLWNAKJCYMHHYNB-UHFFFAOYSA-N
XLogP-0.16
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 5-0.16
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-(2-amino-4,6-dichlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 61140373
1-(3-amino-5-chloro-2-methylphenyl)sulfonylazetidin-3-ol
CID 107212153
(2S,4R)-1-(2-amino-5-chloro-4-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 24738114
1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 116530113
1-(3-amino-4-fluoro-5-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 115421373
1-(3-amino-5-chloro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 114378875
1-(2-amino-3,6-dimethylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 103171274
(2S,4S)-1-(5-chloro-2-methylphenyl)sulfonyl-4-methoxypyrrolidine-2-carboxamide
CID 128975202
(2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 126825870
1-[(2-amino-3-pyridinyl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide
CID 65427807
1-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl]-4-hydroxypyrrolidine-2-carboxamide
CID 61047580
(2S,4R)-4-hydroxy-1-(2-methylquinolin-8-yl)sulfonylpyrrolidine-2-carboxamide
CID 98856378

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-chloro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-amino-5-chloro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide (CID 114379175) is 1-(3-amino-5-chloro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-amino-5-chloro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-amino-5-chloro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide is Cc1c(N)cc(Cl)cc1S(=O)(=O)N1CC(O)CC1C(N)=O.
What is the InChIKey of 1-(3-amino-5-chloro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is LWNAKJCYMHHYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O4S/c1-6-9(14)2-7(13)3-11(6)21(19,20)16-5-8(17)4-10(16)12(15)18/h2-3,8,10,17H,4-5,14H2,1H3,(H2,15,18).
What are the key properties of 1-(3-amino-5-chloro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide?
1-(3-amino-5-chloro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 333.80 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-chloro-2-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 114379175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).