N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide

C14H13ClN2O3S — CID 16773286

IUPACN-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccc(N)cc2Cl)c1
InChIInChI=1S/C14H13ClN2O3S/c1-21(19,20)11-4-2-3-9(7-11)14(18)17-13-6-5-10(16)8-12(13)15/h2-8H,16H2,1H3,(H,17,18)
InChIKeyYRXPJZAAILNCSG-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.58
Rot. Bonds3

About N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide

N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide (PubChem CID 16773286) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide
PubChem CID16773286
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC NameN-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccc(N)cc2Cl)c1
InChIInChI=1S/C14H13ClN2O3S/c1-21(19,20)11-4-2-3-9(7-11)14(18)17-13-6-5-10(16)8-12(13)15/h2-8H,16H2,1H3,(H,17,18)
InChIKeyYRXPJZAAILNCSG-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-(2-bromo-3-chlorophenyl)-3-methylsulfonylbenzamide
CID 103480003
N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide
CID 51149042
N-[2-chloro-4-(cyclopentanecarbonylamino)phenyl]-3-methylsulfonylbenzamide
CID 24667735
N-[2-chloro-4-(4-methylpentanoylamino)phenyl]-3-methylsulfonylbenzamide
CID 25471452
N-[3-chloro-4-[(3-methylsulfonylbenzoyl)amino]phenyl]-3-(methoxymethyl)benzamide
CID 24667859
N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfonylbenzamide
CID 107301164
N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide
CID 64792707
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
N-[2-chloro-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]-3-methylsulfonylbenzamide
CID 24667783
N-(4-amino-2-chlorophenyl)-3-ethoxybenzamide
CID 100829813
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide
CID 2668918
N-[2-chloro-4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]-3-methylsulfonylbenzamide
CID 24667824

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide (CID 16773286) is N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)Nc2ccc(N)cc2Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide?
The InChIKey is YRXPJZAAILNCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-21(19,20)11-4-2-3-9(7-11)14(18)17-13-6-5-10(16)8-12(13)15/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide?
N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide 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 N-(4-amino-2-chlorophenyl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 16773286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).