2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide

C13H20ClN3O3S — CID 119507175

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide
SMILESCCNCCNC(=O)C(C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClN3O3S/c1-3-15-8-9-16-13(18)10(2)17-21(19,20)12-6-4-11(14)5-7-12/h4-7,10,15,17H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyWVHCZFPBZGMJAS-UHFFFAOYSA-N
MW333.84 g/mol
LogP0.73
Rot. Bonds8

About 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide

2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide (PubChem CID 119507175) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide
PubChem CID119507175
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide
SMILESCCNCCNC(=O)C(C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H20ClN3O3S/c1-3-15-8-9-16-13(18)10(2)17-21(19,20)12-6-4-11(14)5-7-12/h4-7,10,15,17H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyWVHCZFPBZGMJAS-UHFFFAOYSA-N
XLogP0.73
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880
3-[2-[(4-chlorophenyl)sulfonylamino]propanoylamino]-2-methylpropanoic acid
CID 119237146
(2S)-N-(2-bromoprop-2-enyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 47439175
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2947130
(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 8802546
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 32996069
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 27256778
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3994624
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841956
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]propanamide
CID 55939921
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide (CID 119507175) is 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide is CCNCCNC(=O)C(C)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide?
The InChIKey is WVHCZFPBZGMJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-3-15-8-9-16-13(18)10(2)17-21(19,20)12-6-4-11(14)5-7-12/h4-7,10,15,17H,3,8-9H2,1-2H3,(H,16,18).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide?
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide has a molecular weight of 333.84 g/mol, XLogP of 0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide is sourced from PubChem (CID 119507175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).