N-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide

C19H16Cl2N2O3S — CID 2728379

IUPACN-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncccc2OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H16Cl2N2O3S/c1-13-4-7-15(8-5-13)27(24,25)23-19-18(3-2-10-22-19)26-12-14-6-9-16(20)17(21)11-14/h2-11H,12H2,1H3,(H,22,23)
InChIKeySSRXPQHIXRFDON-UHFFFAOYSA-N
MW423.32 g/mol
LogP5.08
Rot. Bonds6

About N-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide

N-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide (PubChem CID 2728379) has the molecular formula C19H16Cl2N2O3S and a molecular weight of 423.32 g/mol. Its IUPAC name is N-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide
PubChem CID2728379
Molecular FormulaC19H16Cl2N2O3S
Molecular Weight423.32 g/mol
Exact Mass422.03
IUPAC NameN-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ncccc2OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H16Cl2N2O3S/c1-13-4-7-15(8-5-13)27(24,25)23-19-18(3-2-10-22-19)26-12-14-6-9-16(20)17(21)11-14/h2-11H,12H2,1H3,(H,22,23)
InChIKeySSRXPQHIXRFDON-UHFFFAOYSA-N
XLogP5.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.32
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[3-[(4-methylphenyl)methoxy]pyrazin-2-yl]benzenesulfonamide
CID 23075772
4-ethyl-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzenesulfonamide
CID 84563209
2,4,6-trimethyl-N-(3-phenylmethoxy-2-pyridinyl)benzenesulfonamide
CID 137396760
N-[3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075876
N-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-4-methylbenzenesulfonamide
CID 139969429
3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-2-pyridinyl]benzenesulfonamide
CID 57493723
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide
CID 52782034
3,5-dichloro-N-(3-methoxy-2-pyridinyl)benzenesulfonamide
CID 154807827
4-(2-chloroethyl)-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103943864
4-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103886271
N-[3-[[3-(4-methoxybutoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075898
N-[3-[[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075847

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide (CID 2728379) is N-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ncccc2OCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide?
The InChIKey is SSRXPQHIXRFDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3S/c1-13-4-7-15(8-5-13)27(24,25)23-19-18(3-2-10-22-19)26-12-14-6-9-16(20)17(21)11-14/h2-11H,12H2,1H3,(H,22,23).
What are the key properties of N-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide?
N-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide has a molecular weight of 423.32 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2728379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).