N-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide

C10H13ClN2O3S — CID 43444676

IUPACN-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide
SMILESCCS(=O)(=O)CC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C10H13ClN2O3S/c1-2-17(15,16)6-10(14)13-9-5-7(11)3-4-8(9)12/h3-5H,2,6,12H2,1H3,(H,13,14)
InChIKeyPHDSPGUSOWZNAX-UHFFFAOYSA-N
MW276.75 g/mol
LogP1.30
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide

N-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide (PubChem CID 43444676) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.75 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide
PubChem CID43444676
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.75 g/mol
Exact Mass276.03
IUPAC NameN-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide
SMILESCCS(=O)(=O)CC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C10H13ClN2O3S/c1-2-17(15,16)6-10(14)13-9-5-7(11)3-4-8(9)12/h3-5H,2,6,12H2,1H3,(H,13,14)
InChIKeyPHDSPGUSOWZNAX-UHFFFAOYSA-N
XLogP1.30
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 51.30
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

N-(2-amino-5-chlorophenyl)-3-butylsulfonylpropanamide
CID 43615882
N-(2-amino-5-chlorophenyl)-3,3-dimethylbutanamide
CID 16794866
N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879333
N-(2-amino-5-chlorophenyl)-3-propoxypropanamide
CID 43247865
N-(2-amino-5-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790772
N-(2-amino-5-chlorophenyl)-2-phenylacetamide
CID 18071244
N-(2-amino-5-chlorophenyl)ethanesulfonamide
CID 16775889
N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 61243364
2-[[2-(2-amino-5-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101401
N-(2-amino-5-chlorophenyl)-3-(3-ethyl-2-oxoimidazol-1-yl)propanamide
CID 80579081
3-(2-amino-5-chlorophenyl)-1-ethyl-1-methylurea
CID 79152051
N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide
CID 43274990

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide (CID 43444676) is N-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide is CCS(=O)(=O)CC(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide?
The InChIKey is PHDSPGUSOWZNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c1-2-17(15,16)6-10(14)13-9-5-7(11)3-4-8(9)12/h3-5H,2,6,12H2,1H3,(H,13,14).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide?
N-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide has a molecular weight of 276.75 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide is sourced from PubChem (CID 43444676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).