2,4-dichloro-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]benzenesulfonamide

C21H20Cl2N2O3S — CID 145433899

IUPAC2,4-dichloro-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]benzenesulfonamide
SMILESCOc1cnccc1-c1cccc(C(C)(C)NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C21H20Cl2N2O3S/c1-21(2,25-29(26,27)20-8-7-16(22)12-18(20)23)15-6-4-5-14(11-15)17-9-10-24-13-19(17)28-3/h4-13,25H,1-3H3
InChIKeyUYCMBJSNGMRNFW-UHFFFAOYSA-N
MW451.38 g/mol
LogP5.28
Rot. Bonds6

About 2,4-dichloro-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]benzenesulfonamide

2,4-dichloro-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]benzenesulfonamide (PubChem CID 145433899) has the molecular formula C21H20Cl2N2O3S and a molecular weight of 451.38 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]benzenesulfonamide
PubChem CID145433899
Molecular FormulaC21H20Cl2N2O3S
Molecular Weight451.38 g/mol
Exact Mass450.06
IUPAC Name2,4-dichloro-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]benzenesulfonamide
SMILESCOc1cnccc1-c1cccc(C(C)(C)NS(=O)(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C21H20Cl2N2O3S/c1-21(2,25-29(26,27)20-8-7-16(22)12-18(20)23)15-6-4-5-14(11-15)17-9-10-24-13-19(17)28-3/h4-13,25H,1-3H3
InChIKeyUYCMBJSNGMRNFW-UHFFFAOYSA-N
XLogP5.28
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.38
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]-5-methylbenzenesulfonamide
CID 158406261
4-fluoro-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 145434147
N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]-2-methylpropyl]benzenesulfonamide
CID 155618979
N-[2-[3-(3-hydroxy-4-pyridinyl)phenyl]propan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 145433764
3-chloro-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]benzenesulfonamide
CID 113091569
4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627944
3-chloro-4-methoxy-N-(2-phenylpropan-2-yl)benzenesulfonamide
CID 113091776
2,4-dichloro-N-hydroxybenzenesulfonamide
CID 83542895
5-chloro-N-[5-(3-chlorophenyl)-3-pyridinyl]-2-methoxybenzenesulfonamide
CID 56684237
N-[2-(3-chlorophenyl)propan-2-yl]-4-fluorobenzenesulfonamide
CID 110446078
2,4-dichloro-N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]benzenesulfonamide
CID 59849898
N-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2,4-dimethylbenzenesulfonamide
CID 113091545

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]benzenesulfonamide (CID 145433899) is 2,4-dichloro-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]benzenesulfonamide is COc1cnccc1-c1cccc(C(C)(C)NS(=O)(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]benzenesulfonamide?
The InChIKey is UYCMBJSNGMRNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O3S/c1-21(2,25-29(26,27)20-8-7-16(22)12-18(20)23)15-6-4-5-14(11-15)17-9-10-24-13-19(17)28-3/h4-13,25H,1-3H3.
What are the key properties of 2,4-dichloro-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]benzenesulfonamide?
2,4-dichloro-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]benzenesulfonamide has a molecular weight of 451.38 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[3-(3-methoxy-4-pyridinyl)phenyl]propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 145433899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).