5-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide

C11H14ClN3O3S — CID 106250243

IUPAC5-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCN1CCC(NS(=O)(=O)c2cc(N)ccc2Cl)C1=O
InChIInChI=1S/C11H14ClN3O3S/c1-15-5-4-9(11(15)16)14-19(17,18)10-6-7(13)2-3-8(10)12/h2-3,6,9,14H,4-5,13H2,1H3
InChIKeyDMMFVYPDUTVJBF-UHFFFAOYSA-N
MW303.77 g/mol
LogP0.43
Rot. Bonds3

About 5-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide

5-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 106250243) has the molecular formula C11H14ClN3O3S and a molecular weight of 303.77 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID106250243
Molecular FormulaC11H14ClN3O3S
Molecular Weight303.77 g/mol
Exact Mass303.04
IUPAC Name5-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCN1CCC(NS(=O)(=O)c2cc(N)ccc2Cl)C1=O
InChIInChI=1S/C11H14ClN3O3S/c1-15-5-4-9(11(15)16)14-19(17,18)10-6-7(13)2-3-8(10)12/h2-3,6,9,14H,4-5,13H2,1H3
InChIKeyDMMFVYPDUTVJBF-UHFFFAOYSA-N
XLogP0.43
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 50.43
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

5-amino-4-chloro-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106250330
5-amino-N-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide
CID 106252171
3-(4-amino-2-chloroanilino)-1-methylpyrrolidin-2-one
CID 106251681
5-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chlorobenzenesulfonamide
CID 43102600
5-amino-2-chloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64909057
4-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113266759
1-methyl-2-oxo-3-(sulfamoylamino)pyrrolidine
CID 103682335
5-amino-2-chloro-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64740102
2-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]benzenecarbothioamide
CID 106256330
4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43373446
1-(5-amino-2-chlorophenyl)sulfonylpiperidin-4-amine
CID 164885281
5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 29031468

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide (CID 106250243) is 5-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide is CN1CCC(NS(=O)(=O)c2cc(N)ccc2Cl)C1=O.
What is the InChIKey of 5-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is DMMFVYPDUTVJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3S/c1-15-5-4-9(11(15)16)14-19(17,18)10-6-7(13)2-3-8(10)12/h2-3,6,9,14H,4-5,13H2,1H3.
What are the key properties of 5-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide?
5-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 303.77 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 106250243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).