N-[1-(2,6-dichlorophenyl)-2-(6-methyl-2-pyridinyl)ethyl]-4-methylbenzenesulfonamide

C21H20Cl2N2O2S — CID 51031898

IUPACN-[1-(2,6-dichlorophenyl)-2-(6-methyl-2-pyridinyl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(Cc2cccc(C)n2)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C21H20Cl2N2O2S/c1-14-9-11-17(12-10-14)28(26,27)25-20(13-16-6-3-5-15(2)24-16)21-18(22)7-4-8-19(21)23/h3-12,20,25H,13H2,1-2H3
InChIKeyBXFAXNFPSYYKGT-UHFFFAOYSA-N
MW435.38 g/mol
LogP5.27
Rot. Bonds6

About N-[1-(2,6-dichlorophenyl)-2-(6-methyl-2-pyridinyl)ethyl]-4-methylbenzenesulfonamide

N-[1-(2,6-dichlorophenyl)-2-(6-methyl-2-pyridinyl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 51031898) has the molecular formula C21H20Cl2N2O2S and a molecular weight of 435.38 g/mol. Its IUPAC name is N-[1-(2,6-dichlorophenyl)-2-(6-methyl-2-pyridinyl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2,6-dichlorophenyl)-2-(6-methyl-2-pyridinyl)ethyl]-4-methylbenzenesulfonamide
PubChem CID51031898
Molecular FormulaC21H20Cl2N2O2S
Molecular Weight435.38 g/mol
Exact Mass434.06
IUPAC NameN-[1-(2,6-dichlorophenyl)-2-(6-methyl-2-pyridinyl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(Cc2cccc(C)n2)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C21H20Cl2N2O2S/c1-14-9-11-17(12-10-14)28(26,27)25-20(13-16-6-3-5-15(2)24-16)21-18(22)7-4-8-19(21)23/h3-12,20,25H,13H2,1-2H3
InChIKeyBXFAXNFPSYYKGT-UHFFFAOYSA-N
XLogP5.27
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.38
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2,6-dichlorophenyl)-2-(6-methyl-2-pyridinyl)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

4-methyl-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzenesulfonamide
CID 101389487
4-tert-butyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 139174842
N-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 58009712
4-methyl-N-[(2S)-1-[[6-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propyl]sulfanylmethyl]-2-pyridinyl]methylsulfanyl]propan-2-yl]benzenesulfonamide
CID 132839162
N-[2,2-bis[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 175193129
2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500668
4-methyl-N-(1-quinolin-2-ylpropan-2-yl)benzenesulfonamide
CID 129271456
4-methyl-N-(1-naphthalen-1-yl-2-pyridin-4-ylethyl)benzenesulfonamide
CID 134836485
N-[(2R)-2-anilino-2-(2-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 71663028
N-(3-chloro-1-phenylpropyl)-4-methylbenzenesulfonamide
CID 4961653
N-ethyl-4-[(6-methyl-2-pyridinyl)methylamino]benzenesulfonamide
CID 62308229
3-chloro-4-[(6-methyl-2-pyridinyl)methylsulfonyl]aniline
CID 81181655

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dichlorophenyl)-2-(6-methyl-2-pyridinyl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(2,6-dichlorophenyl)-2-(6-methyl-2-pyridinyl)ethyl]-4-methylbenzenesulfonamide (CID 51031898) is N-[1-(2,6-dichlorophenyl)-2-(6-methyl-2-pyridinyl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(2,6-dichlorophenyl)-2-(6-methyl-2-pyridinyl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(2,6-dichlorophenyl)-2-(6-methyl-2-pyridinyl)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(Cc2cccc(C)n2)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-[1-(2,6-dichlorophenyl)-2-(6-methyl-2-pyridinyl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is BXFAXNFPSYYKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2S/c1-14-9-11-17(12-10-14)28(26,27)25-20(13-16-6-3-5-15(2)24-16)21-18(22)7-4-8-19(21)23/h3-12,20,25H,13H2,1-2H3.
What are the key properties of N-[1-(2,6-dichlorophenyl)-2-(6-methyl-2-pyridinyl)ethyl]-4-methylbenzenesulfonamide?
N-[1-(2,6-dichlorophenyl)-2-(6-methyl-2-pyridinyl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 435.38 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dichlorophenyl)-2-(6-methyl-2-pyridinyl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 51031898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).