3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide

C14H13ClN2O3S — CID 60923802

IUPAC3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C14H13ClN2O3S/c1-21(19,20)11-4-2-3-10(8-11)17-14(18)9-5-6-12(15)13(16)7-9/h2-8H,16H2,1H3,(H,17,18)
InChIKeyIASUXXZWTZHWGI-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.58
Rot. Bonds3

About 3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide

3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide (PubChem CID 60923802) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide
PubChem CID60923802
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)c(N)c2)c1
InChIInChI=1S/C14H13ClN2O3S/c1-21(19,20)11-4-2-3-10(8-11)17-14(18)9-5-6-12(15)13(16)7-9/h2-8H,16H2,1H3,(H,17,18)
InChIKeyIASUXXZWTZHWGI-UHFFFAOYSA-N
XLogP2.58
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.58
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-(3-acetamidophenyl)-3-amino-4-chlorobenzamide
CID 28722825
3,5-dichloro-N-[4-[(3-methylsulfonylphenyl)carbamoyl]phenyl]benzamide
CID 55637881
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
CID 9071047
3-acetamido-N-(3-amino-4-chlorophenyl)benzamide
CID 28867862
3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide
CID 60926921
3-chloro-4-methyl-N-(3-sulfamoylphenyl)benzamide
CID 63195346
3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide
CID 103706508
3-amino-4-chloro-N-[3-(difluoromethoxy)phenyl]benzamide
CID 43706007
N-(3-amino-4-chlorophenyl)-3-methylbenzamide
CID 16772508
N-(3-iodophenyl)-3-methylsulfonylbenzamide
CID 16545735
5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide
CID 81317410

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide (CID 60923802) is 3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide is CS(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)c(N)c2)c1.
What is the InChIKey of 3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide?
The InChIKey is IASUXXZWTZHWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-21(19,20)11-4-2-3-10(8-11)17-14(18)9-5-6-12(15)13(16)7-9/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide?
3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide has a molecular weight of 324.79 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide is sourced from PubChem (CID 60923802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).