1-(2-amino-4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C12H17N3O3S — CID 43258628

IUPAC1-(2-amino-4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(N)=O)c(N)c1
InChIInChI=1S/C12H17N3O3S/c1-8-4-5-11(9(13)7-8)19(17,18)15-6-2-3-10(15)12(14)16/h4-5,7,10H,2-3,6,13H2,1H3,(H2,14,16)
InChIKeyBXORITGWKUYYJL-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.22
Rot. Bonds3

About 1-(2-amino-4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

1-(2-amino-4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 43258628) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-(2-amino-4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID43258628
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name1-(2-amino-4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2C(N)=O)c(N)c1
InChIInChI=1S/C12H17N3O3S/c1-8-4-5-11(9(13)7-8)19(17,18)15-6-2-3-10(15)12(14)16/h4-5,7,10H,2-3,6,13H2,1H3,(H2,14,16)
InChIKeyBXORITGWKUYYJL-UHFFFAOYSA-N
XLogP0.22
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-2-carboxamide
CID 61112037
methyl 1-(2-amino-4-methylphenyl)sulfonylpiperidine-2-carboxylate
CID 61114448
1-(3-amino-2-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43096916
(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 8799587
1-[4-(aminomethyl)-2-methylphenyl]sulfonylpyrrolidine-2-carboxamide
CID 106996648
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]sulfonyl-5-methylaniline
CID 62885554
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-5-methylaniline
CID 82747391
1-(4-bromo-2-ethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 6735653
4-[(2R)-2-carbamoylpyrrolidin-1-yl]sulfonyl-3-chlorobenzoic acid
CID 146131026
4-(2-carbamoylpyrrolidin-1-yl)sulfonyl-5-methylthiophene-2-carboxylic acid
CID 63328505
1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidine-2-carboxamide
CID 43577772
5-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]aniline
CID 79928713

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-amino-4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 43258628) is 1-(2-amino-4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC2C(N)=O)c(N)c1.
What is the InChIKey of 1-(2-amino-4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is BXORITGWKUYYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-8-4-5-11(9(13)7-8)19(17,18)15-6-2-3-10(15)12(14)16/h4-5,7,10H,2-3,6,13H2,1H3,(H2,14,16).
What are the key properties of 1-(2-amino-4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
1-(2-amino-4-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 43258628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).