N-[2,2-dichloro-2-phenyl-1-(pyridin-2-ylamino)ethyl]-4-methylbenzenesulfonamide

C20H19Cl2N3O2S — CID 71600510

IUPACN-[2,2-dichloro-2-phenyl-1-(pyridin-2-ylamino)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(Nc2ccccn2)C(Cl)(Cl)c2ccccc2)cc1
InChIInChI=1S/C20H19Cl2N3O2S/c1-15-10-12-17(13-11-15)28(26,27)25-19(24-18-9-5-6-14-23-18)20(21,22)16-7-3-2-4-8-16/h2-14,19,25H,1H3,(H,23,24)
InChIKeyKAVHOKYGFWRGBC-UHFFFAOYSA-N
MW436.36 g/mol
LogP4.44
Rot. Bonds7

About N-[2,2-dichloro-2-phenyl-1-(pyridin-2-ylamino)ethyl]-4-methylbenzenesulfonamide

N-[2,2-dichloro-2-phenyl-1-(pyridin-2-ylamino)ethyl]-4-methylbenzenesulfonamide (PubChem CID 71600510) has the molecular formula C20H19Cl2N3O2S and a molecular weight of 436.36 g/mol. Its IUPAC name is N-[2,2-dichloro-2-phenyl-1-(pyridin-2-ylamino)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2,2-dichloro-2-phenyl-1-(pyridin-2-ylamino)ethyl]-4-methylbenzenesulfonamide
PubChem CID71600510
Molecular FormulaC20H19Cl2N3O2S
Molecular Weight436.36 g/mol
Exact Mass435.06
IUPAC NameN-[2,2-dichloro-2-phenyl-1-(pyridin-2-ylamino)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(Nc2ccccn2)C(Cl)(Cl)c2ccccc2)cc1
InChIInChI=1S/C20H19Cl2N3O2S/c1-15-10-12-17(13-11-15)28(26,27)25-19(24-18-9-5-6-14-23-18)20(21,22)16-7-3-2-4-8-16/h2-14,19,25H,1H3,(H,23,24)
InChIKeyKAVHOKYGFWRGBC-UHFFFAOYSA-N
XLogP4.44
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.36
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[2,2-dichloro-2-phenyl-1-(pyridin-2-ylamino)ethyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2,2-dichloro-2-phenyl-1-(1,3-thiazol-2-ylamino)ethyl]-4-methylbenzenesulfonamide
CID 71600641
N-[2,2-dichloro-1-[(4-chlorophenyl)sulfonylamino]-2-phenylethyl]ethanethioamide
CID 11189825
4-methyl-N-[(1R)-2,2,2-trichloro-1-(pyridin-2-ylamino)ethyl]benzamide
CID 30467509
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
4-methyl-N-(4-pyridin-2-ylphenyl)benzenesulfonamide
CID 169370373
5-methyl-N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-2-amine
CID 158245544
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 11162537
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
4-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 53257044
N'-(4-methylphenyl)sulfonylpyridine-2-carbohydrazide
CID 26951444
N'-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]-4-methylbenzenesulfonohydrazide
CID 19146999
4-methyl-N-[(S)-phenyl-[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 134952770

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dichloro-2-phenyl-1-(pyridin-2-ylamino)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2,2-dichloro-2-phenyl-1-(pyridin-2-ylamino)ethyl]-4-methylbenzenesulfonamide (CID 71600510) is N-[2,2-dichloro-2-phenyl-1-(pyridin-2-ylamino)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2,2-dichloro-2-phenyl-1-(pyridin-2-ylamino)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2,2-dichloro-2-phenyl-1-(pyridin-2-ylamino)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(Nc2ccccn2)C(Cl)(Cl)c2ccccc2)cc1.
What is the InChIKey of N-[2,2-dichloro-2-phenyl-1-(pyridin-2-ylamino)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is KAVHOKYGFWRGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2S/c1-15-10-12-17(13-11-15)28(26,27)25-19(24-18-9-5-6-14-23-18)20(21,22)16-7-3-2-4-8-16/h2-14,19,25H,1H3,(H,23,24).
What are the key properties of N-[2,2-dichloro-2-phenyl-1-(pyridin-2-ylamino)ethyl]-4-methylbenzenesulfonamide?
N-[2,2-dichloro-2-phenyl-1-(pyridin-2-ylamino)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 436.36 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dichloro-2-phenyl-1-(pyridin-2-ylamino)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 71600510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).