4-(3-cyanophenoxy)-N-(quinolin-4-ylmethyl)benzenesulfonamide

C23H17N3O3S — CID 71144623

IUPAC4-(3-cyanophenoxy)-N-(quinolin-4-ylmethyl)benzenesulfonamide
SMILESN#Cc1cccc(Oc2ccc(S(=O)(=O)NCc3ccnc4ccccc34)cc2)c1
InChIInChI=1S/C23H17N3O3S/c24-15-17-4-3-5-20(14-17)29-19-8-10-21(11-9-19)30(27,28)26-16-18-12-13-25-23-7-2-1-6-22(18)23/h1-14,26H,16H2
InChIKeyXPIFWZZDOIKCTO-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.38
Rot. Bonds6

About 4-(3-cyanophenoxy)-N-(quinolin-4-ylmethyl)benzenesulfonamide

4-(3-cyanophenoxy)-N-(quinolin-4-ylmethyl)benzenesulfonamide (PubChem CID 71144623) has the molecular formula C23H17N3O3S and a molecular weight of 415.47 g/mol. Its IUPAC name is 4-(3-cyanophenoxy)-N-(quinolin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-cyanophenoxy)-N-(quinolin-4-ylmethyl)benzenesulfonamide
PubChem CID71144623
Molecular FormulaC23H17N3O3S
Molecular Weight415.47 g/mol
Exact Mass415.10
IUPAC Name4-(3-cyanophenoxy)-N-(quinolin-4-ylmethyl)benzenesulfonamide
SMILESN#Cc1cccc(Oc2ccc(S(=O)(=O)NCc3ccnc4ccccc34)cc2)c1
InChIInChI=1S/C23H17N3O3S/c24-15-17-4-3-5-20(14-17)29-19-8-10-21(11-9-19)30(27,28)26-16-18-12-13-25-23-7-2-1-6-22(18)23/h1-14,26H,16H2
InChIKeyXPIFWZZDOIKCTO-UHFFFAOYSA-N
XLogP4.38
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-propan-2-yl-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 86042080
N,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide
CID 77081152
3-methyl-4-(3-methylphenyl)-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 24891714
1-phenyl-N-(quinolin-4-ylmethyl)methanesulfonamide
CID 110734278
4-cyano-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]benzenesulfonamide
CID 55914039
N-(quinolin-4-ylmethyl)thiophene-2-sulfonamide
CID 110734274
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675
N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide
CID 166050621
2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 110734272
4-(4-ethoxyphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51169949
3-cyano-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 39665417
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-(4-ethoxyphenoxy)benzenesulfonamide
CID 55691577

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenoxy)-N-(quinolin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(3-cyanophenoxy)-N-(quinolin-4-ylmethyl)benzenesulfonamide (CID 71144623) is 4-(3-cyanophenoxy)-N-(quinolin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-cyanophenoxy)-N-(quinolin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(3-cyanophenoxy)-N-(quinolin-4-ylmethyl)benzenesulfonamide is N#Cc1cccc(Oc2ccc(S(=O)(=O)NCc3ccnc4ccccc34)cc2)c1.
What is the InChIKey of 4-(3-cyanophenoxy)-N-(quinolin-4-ylmethyl)benzenesulfonamide?
The InChIKey is XPIFWZZDOIKCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3S/c24-15-17-4-3-5-20(14-17)29-19-8-10-21(11-9-19)30(27,28)26-16-18-12-13-25-23-7-2-1-6-22(18)23/h1-14,26H,16H2.
What are the key properties of 4-(3-cyanophenoxy)-N-(quinolin-4-ylmethyl)benzenesulfonamide?
4-(3-cyanophenoxy)-N-(quinolin-4-ylmethyl)benzenesulfonamide has a molecular weight of 415.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanophenoxy)-N-(quinolin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 71144623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).