2-(4-amino-2-chlorophenyl)sulfinylbutanamide

C10H13ClN2O2S — CID 81181559

IUPAC2-(4-amino-2-chlorophenyl)sulfinylbutanamide
SMILESCCC(C(N)=O)S(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C10H13ClN2O2S/c1-2-8(10(13)14)16(15)9-4-3-6(12)5-7(9)11/h3-5,8H,2,12H2,1H3,(H2,13,14)
InChIKeyRAFDTAMHOZOKCU-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.29
Rot. Bonds4

About 2-(4-amino-2-chlorophenyl)sulfinylbutanamide

2-(4-amino-2-chlorophenyl)sulfinylbutanamide (PubChem CID 81181559) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 2-(4-amino-2-chlorophenyl)sulfinylbutanamide.

Molecular Properties

Compound Name2-(4-amino-2-chlorophenyl)sulfinylbutanamide
PubChem CID81181559
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name2-(4-amino-2-chlorophenyl)sulfinylbutanamide
SMILESCCC(C(N)=O)S(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C10H13ClN2O2S/c1-2-8(10(13)14)16(15)9-4-3-6(12)5-7(9)11/h3-5,8H,2,12H2,1H3,(H2,13,14)
InChIKeyRAFDTAMHOZOKCU-UHFFFAOYSA-N
XLogP1.29
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.29
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-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide
CID 81181954
4-chloro-3-pentan-3-ylsulfinylaniline
CID 81206698
2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
CID 81182538
3-(4-amino-2-chlorophenyl)sulfinyl-N,N-dimethylpropanamide
CID 81181799
3-chloro-4-(2-ethylsulfonylethylsulfinyl)aniline
CID 81181542
2-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide
CID 81201509
3-chloro-4-(4-methylpentylsulfinyl)aniline
CID 83162926
3,4-dichloroaniline;propanoic acid
CID 67914619
3-chloro-4-(3-ethoxypropylsulfinyl)aniline
CID 81182461
4-amino-2-chloro-N-(2-ethylbutyl)benzamide
CID 115738201
3-chloro-4-(cyclopropylmethylsulfinyl)aniline
CID 81182295
3-chloro-4-[(5-ethylthiophen-2-yl)methylsulfinyl]aniline
CID 81182042

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chlorophenyl)sulfinylbutanamide?
The IUPAC name of 2-(4-amino-2-chlorophenyl)sulfinylbutanamide (CID 81181559) is 2-(4-amino-2-chlorophenyl)sulfinylbutanamide.
What is the SMILES notation for 2-(4-amino-2-chlorophenyl)sulfinylbutanamide?
The canonical SMILES for 2-(4-amino-2-chlorophenyl)sulfinylbutanamide is CCC(C(N)=O)S(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 2-(4-amino-2-chlorophenyl)sulfinylbutanamide?
The InChIKey is RAFDTAMHOZOKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c1-2-8(10(13)14)16(15)9-4-3-6(12)5-7(9)11/h3-5,8H,2,12H2,1H3,(H2,13,14).
What are the key properties of 2-(4-amino-2-chlorophenyl)sulfinylbutanamide?
2-(4-amino-2-chlorophenyl)sulfinylbutanamide has a molecular weight of 260.75 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chlorophenyl)sulfinylbutanamide is sourced from PubChem (CID 81181559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).