2-(4-amino-3-chlorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide

C13H19ClN2O4S — CID 81201903

IUPAC2-(4-amino-3-chlorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)S(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C13H19ClN2O4S/c1-9(13(17)16-6-3-7-20-2)21(18,19)10-4-5-12(15)11(14)8-10/h4-5,8-9H,3,6-7,15H2,1-2H3,(H,16,17)
InChIKeyNAQQBTQGOXZANL-UHFFFAOYSA-N
MW334.83 g/mol
LogP1.24
Rot. Bonds7

About 2-(4-amino-3-chlorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide

2-(4-amino-3-chlorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide (PubChem CID 81201903) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is 2-(4-amino-3-chlorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(4-amino-3-chlorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide
PubChem CID81201903
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC Name2-(4-amino-3-chlorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)S(=O)(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C13H19ClN2O4S/c1-9(13(17)16-6-3-7-20-2)21(18,19)10-4-5-12(15)11(14)8-10/h4-5,8-9H,3,6-7,15H2,1-2H3,(H,16,17)
InChIKeyNAQQBTQGOXZANL-UHFFFAOYSA-N
XLogP1.24
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3-methylphenyl)sulfonyl-N-pentylpropanamide
CID 81185850
2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81184295
2-(5-amino-2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81202537
2-(2-amino-4-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81174855
(2R)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide
CID 94027440
2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide
CID 47119405
(2R)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)sulfonylpropanamide
CID 94027401
2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 47217645
(2R)-N-(3-methoxypropyl)-2-pyridin-2-ylsulfonylpropanamide
CID 94149721
2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 107715953
N-(3-methoxypropyl)-2-(1-methylimidazol-2-yl)sulfonylpropanamide
CID 47417604
2-(4-amino-2,6-difluorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 61368807

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-chlorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(4-amino-3-chlorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide (CID 81201903) is 2-(4-amino-3-chlorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(4-amino-3-chlorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(4-amino-3-chlorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)S(=O)(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 2-(4-amino-3-chlorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide?
The InChIKey is NAQQBTQGOXZANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4S/c1-9(13(17)16-6-3-7-20-2)21(18,19)10-4-5-12(15)11(14)8-10/h4-5,8-9H,3,6-7,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-amino-3-chlorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide?
2-(4-amino-3-chlorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide has a molecular weight of 334.83 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-chlorophenyl)sulfonyl-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 81201903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).