N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]naphthalene-2-sulfonamide

C22H18N2O2S2 — CID 16579664

IUPACN-[4-(pyridin-3-ylmethylsulfanyl)phenyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(SCc2cccnc2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H18N2O2S2/c25-28(26,22-12-7-18-5-1-2-6-19(18)14-22)24-20-8-10-21(11-9-20)27-16-17-4-3-13-23-15-17/h1-15,24H,16H2
InChIKeyDFHDOZYANXDIMS-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.33
Rot. Bonds6

About N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]naphthalene-2-sulfonamide

N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]naphthalene-2-sulfonamide (PubChem CID 16579664) has the molecular formula C22H18N2O2S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(pyridin-3-ylmethylsulfanyl)phenyl]naphthalene-2-sulfonamide
PubChem CID16579664
Molecular FormulaC22H18N2O2S2
Molecular Weight406.53 g/mol
Exact Mass406.08
IUPAC NameN-[4-(pyridin-3-ylmethylsulfanyl)phenyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(SCc2cccnc2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H18N2O2S2/c25-28(26,22-12-7-18-5-1-2-6-19(18)14-22)24-20-8-10-21(11-9-20)27-16-17-4-3-13-23-15-17/h1-15,24H,16H2
InChIKeyDFHDOZYANXDIMS-UHFFFAOYSA-N
XLogP5.33
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014
3-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-4H-1,4-benzoxazine-6-sulfonamide
CID 16615876
4-fluoro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide
CID 24656479
3-(benzylsulfamoyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
CID 34424924
4-methoxy-3-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]sulfamoyl]benzoic acid
CID 24602714
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
3-(phenylsulfanylmethyl)pyridine;hydrochloride
CID 71374325
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
CID 2412067
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 34425101
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 36542434
N-[4-(dimethylsulfamoyl)phenyl]naphthalene-2-sulfonamide
CID 2098625
2-propylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 60572265

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]naphthalene-2-sulfonamide (CID 16579664) is N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]naphthalene-2-sulfonamide is O=S(=O)(Nc1ccc(SCc2cccnc2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]naphthalene-2-sulfonamide?
The InChIKey is DFHDOZYANXDIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S2/c25-28(26,22-12-7-18-5-1-2-6-19(18)14-22)24-20-8-10-21(11-9-20)27-16-17-4-3-13-23-15-17/h1-15,24H,16H2.
What are the key properties of N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]naphthalene-2-sulfonamide?
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]naphthalene-2-sulfonamide has a molecular weight of 406.53 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 16579664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).