1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide

C13H13ClN2O2S — CID 43255960

IUPAC1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide
SMILESNc1cccc(CS(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H13ClN2O2S/c14-11-4-6-13(7-5-11)16-19(17,18)9-10-2-1-3-12(15)8-10/h1-8,16H,9,15H2
InChIKeyZRYRFGNXPZHCNO-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.86
Rot. Bonds4

About 1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide

1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide (PubChem CID 43255960) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide
PubChem CID43255960
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide
SMILESNc1cccc(CS(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C13H13ClN2O2S/c14-11-4-6-13(7-5-11)16-19(17,18)9-10-2-1-3-12(15)8-10/h1-8,16H,9,15H2
InChIKeyZRYRFGNXPZHCNO-UHFFFAOYSA-N
XLogP2.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.86
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

1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide
CID 43256402
1-(3-aminophenyl)-N-thiophen-3-ylmethanesulfonamide
CID 66351875
1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide
CID 43256586
[3-[(3-aminophenyl)methylsulfonylamino]phenyl]carbamic acid
CID 66880835
1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide
CID 43256226
1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide
CID 43255711
2-[(3-aminophenyl)methylsulfonylamino]acetamide
CID 43255729
1-(4-chlorophenyl)-N-(3-methylphenyl)methanesulfonamide
CID 18891258
1-(3-aminophenyl)-N-(2-bromo-4,6-difluorophenyl)methanesulfonamide
CID 43256792
1-(3-aminophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107594674
1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide
CID 61111385
1-(3-aminophenyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide
CID 43256634

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide (CID 43255960) is 1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide is Nc1cccc(CS(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide?
The InChIKey is ZRYRFGNXPZHCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c14-11-4-6-13(7-5-11)16-19(17,18)9-10-2-1-3-12(15)8-10/h1-8,16H,9,15H2.
What are the key properties of 1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide?
1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide has a molecular weight of 296.78 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide is sourced from PubChem (CID 43255960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).