3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide

C14H13ClN2O3S — CID 43604435

IUPAC3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc(N)c(Cl)c2)c1
InChIInChI=1S/C14H13ClN2O3S/c1-9(18)10-3-2-4-12(7-10)21(19,20)17-11-5-6-14(16)13(15)8-11/h2-8,17H,16H2,1H3
InChIKeyZJRBSFZOWDCQBV-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.93
Rot. Bonds4

About 3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide

3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide (PubChem CID 43604435) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide
PubChem CID43604435
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc(N)c(Cl)c2)c1
InChIInChI=1S/C14H13ClN2O3S/c1-9(18)10-3-2-4-12(7-10)21(19,20)17-11-5-6-14(16)13(15)8-11/h2-8,17H,16H2,1H3
InChIKeyZJRBSFZOWDCQBV-UHFFFAOYSA-N
XLogP2.93
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.93
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

3-acetyl-N-[3-chloro-4-(difluoromethoxy)phenyl]benzenesulfonamide
CID 2466269
3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951365
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970
N'-(3-acetylphenyl)-N-(4-amino-3-chlorophenyl)oxamide
CID 108514915
N-(3,4-dichlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657146
3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813585
3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2486497
3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970291
N-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965624
N-(4-acetylphenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 26663686
N-(4-acetamido-3-chlorophenyl)-3-[(3-chlorophenyl)sulfamoyl]benzamide
CID 25471428
3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775761

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide (CID 43604435) is 3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)Nc2ccc(N)c(Cl)c2)c1.
What is the InChIKey of 3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide?
The InChIKey is ZJRBSFZOWDCQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-9(18)10-3-2-4-12(7-10)21(19,20)17-11-5-6-14(16)13(15)8-11/h2-8,17H,16H2,1H3.
What are the key properties of 3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide?
3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide has a molecular weight of 324.79 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide is sourced from PubChem (CID 43604435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).