N-(2-amino-6-chlorophenyl)pyrrolidine-1-sulfonamide

C10H14ClN3O2S — CID 62084795

IUPACN-(2-amino-6-chlorophenyl)pyrrolidine-1-sulfonamide
SMILESNc1cccc(Cl)c1NS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H14ClN3O2S/c11-8-4-3-5-9(12)10(8)13-17(15,16)14-6-1-2-7-14/h3-5,13H,1-2,6-7,12H2
InChIKeyDYIRUIMKMWWGMF-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.67
Rot. Bonds3

About N-(2-amino-6-chlorophenyl)pyrrolidine-1-sulfonamide

N-(2-amino-6-chlorophenyl)pyrrolidine-1-sulfonamide (PubChem CID 62084795) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is N-(2-amino-6-chlorophenyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-6-chlorophenyl)pyrrolidine-1-sulfonamide
PubChem CID62084795
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC NameN-(2-amino-6-chlorophenyl)pyrrolidine-1-sulfonamide
SMILESNc1cccc(Cl)c1NS(=O)(=O)N1CCCC1
InChIInChI=1S/C10H14ClN3O2S/c11-8-4-3-5-9(12)10(8)13-17(15,16)14-6-1-2-7-14/h3-5,13H,1-2,6-7,12H2
InChIKeyDYIRUIMKMWWGMF-UHFFFAOYSA-N
XLogP1.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-chloro-2-(sulfamoylamino)benzene
CID 114958705
1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60857772
3-chloro-2-N-piperidin-1-ylbenzene-1,2-diamine
CID 83004107
N-(2-amino-6-chlorophenyl)-1-cyclopropylmethanesulfonamide
CID 64987356
N-(3-aminophenyl)piperidine-1-sulfonamide
CID 28783328
N-(6-chloro-2-pyridinyl)piperidine-1-sulfonamide
CID 104821271
N-phenylpyrrolidine-1-sulfonamide
CID 45117555
N-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43330087
N-(2-amino-6-chlorophenyl)-4-propylbenzenesulfonamide
CID 62083735
N-(2-chloro-5-sulfamoylphenyl)piperidine-1-sulfonamide
CID 61132456
N-(2-amino-4,6-difluorophenyl)azepane-1-sulfonamide
CID 81314037
N-[1-(2-chlorophenyl)cyclopropyl]pyrrolidine-1-sulfonamide
CID 122566643

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-chlorophenyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(2-amino-6-chlorophenyl)pyrrolidine-1-sulfonamide (CID 62084795) is N-(2-amino-6-chlorophenyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2-amino-6-chlorophenyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2-amino-6-chlorophenyl)pyrrolidine-1-sulfonamide is Nc1cccc(Cl)c1NS(=O)(=O)N1CCCC1.
What is the InChIKey of N-(2-amino-6-chlorophenyl)pyrrolidine-1-sulfonamide?
The InChIKey is DYIRUIMKMWWGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c11-8-4-3-5-9(12)10(8)13-17(15,16)14-6-1-2-7-14/h3-5,13H,1-2,6-7,12H2.
What are the key properties of N-(2-amino-6-chlorophenyl)pyrrolidine-1-sulfonamide?
N-(2-amino-6-chlorophenyl)pyrrolidine-1-sulfonamide has a molecular weight of 275.76 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-chlorophenyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 62084795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).