2-(2-amino-4-chlorophenyl)sulfinyl-N-methylpropanamide

C10H13ClN2O2S — CID 81175189

IUPAC2-(2-amino-4-chlorophenyl)sulfinyl-N-methylpropanamide
SMILESCNC(=O)C(C)S(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C10H13ClN2O2S/c1-6(10(14)13-2)16(15)9-4-3-7(11)5-8(9)12/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeySVWGAIDDIMEUNI-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.16
Rot. Bonds3

About 2-(2-amino-4-chlorophenyl)sulfinyl-N-methylpropanamide

2-(2-amino-4-chlorophenyl)sulfinyl-N-methylpropanamide (PubChem CID 81175189) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 2-(2-amino-4-chlorophenyl)sulfinyl-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-amino-4-chlorophenyl)sulfinyl-N-methylpropanamide
PubChem CID81175189
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name2-(2-amino-4-chlorophenyl)sulfinyl-N-methylpropanamide
SMILESCNC(=O)C(C)S(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C10H13ClN2O2S/c1-6(10(14)13-2)16(15)9-4-3-7(11)5-8(9)12/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeySVWGAIDDIMEUNI-UHFFFAOYSA-N
XLogP1.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.16
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

2-(2-amino-5-bromophenyl)sulfinyl-N-methylpropanamide
CID 81206667
2-(2-amino-5-chlorophenyl)sulfinyl-N-butan-2-ylpropanamide
CID 81180397
2-(2-amino-4-chlorophenyl)sulfinyl-5-chloroaniline
CID 21272515
2-(2-amino-4-chlorophenyl)sulfinyl-N-butan-2-ylacetamide
CID 81174970
2-(3-aminophenyl)sulfinyl-N-methylpropanamide
CID 81181250
2-(2-amino-4-chlorophenyl)sulfinylacetamide
CID 81176063
(2S)-2-(4-chlorophenyl)-N-methylpropanamide
CID 143748208
2-amino-4-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913799
2-(2-amino-5-chlorophenyl)sulfinyl-N-methylacetamide
CID 81180842
2-amino-5-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 166304512
3-(2-amino-4-chlorophenyl)sulfinyl-N-ethylpropanamide
CID 81175579
2-(2-amino-5-chlorophenyl)sulfinyl-1-pyrrolidin-1-ylpropan-1-one
CID 81180589

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chlorophenyl)sulfinyl-N-methylpropanamide?
The IUPAC name of 2-(2-amino-4-chlorophenyl)sulfinyl-N-methylpropanamide (CID 81175189) is 2-(2-amino-4-chlorophenyl)sulfinyl-N-methylpropanamide.
What is the SMILES notation for 2-(2-amino-4-chlorophenyl)sulfinyl-N-methylpropanamide?
The canonical SMILES for 2-(2-amino-4-chlorophenyl)sulfinyl-N-methylpropanamide is CNC(=O)C(C)S(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-(2-amino-4-chlorophenyl)sulfinyl-N-methylpropanamide?
The InChIKey is SVWGAIDDIMEUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c1-6(10(14)13-2)16(15)9-4-3-7(11)5-8(9)12/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-amino-4-chlorophenyl)sulfinyl-N-methylpropanamide?
2-(2-amino-4-chlorophenyl)sulfinyl-N-methylpropanamide has a molecular weight of 260.75 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chlorophenyl)sulfinyl-N-methylpropanamide is sourced from PubChem (CID 81175189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).