N-(3-chloro-4-naphthalen-2-ylsulfinylphenyl)-6-methylpyridine-3-sulfonamide

C22H17ClN2O3S2 — CID 143108287

IUPACN-(3-chloro-4-naphthalen-2-ylsulfinylphenyl)-6-methylpyridine-3-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(=O)c3ccc4ccccc4c3)c(Cl)c2)cn1
InChIInChI=1S/C22H17ClN2O3S2/c1-15-6-10-20(14-24-15)30(27,28)25-18-8-11-22(21(23)13-18)29(26)19-9-7-16-4-2-3-5-17(16)12-19/h2-14,25H,1H3
InChIKeyPAEVYSLDGBVFBI-UHFFFAOYSA-N
MW456.98 g/mol
LogP5.16
Rot. Bonds5

About N-(3-chloro-4-naphthalen-2-ylsulfinylphenyl)-6-methylpyridine-3-sulfonamide

N-(3-chloro-4-naphthalen-2-ylsulfinylphenyl)-6-methylpyridine-3-sulfonamide (PubChem CID 143108287) has the molecular formula C22H17ClN2O3S2 and a molecular weight of 456.98 g/mol. Its IUPAC name is N-(3-chloro-4-naphthalen-2-ylsulfinylphenyl)-6-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-naphthalen-2-ylsulfinylphenyl)-6-methylpyridine-3-sulfonamide
PubChem CID143108287
Molecular FormulaC22H17ClN2O3S2
Molecular Weight456.98 g/mol
Exact Mass456.04
IUPAC NameN-(3-chloro-4-naphthalen-2-ylsulfinylphenyl)-6-methylpyridine-3-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(=O)c3ccc4ccccc4c3)c(Cl)c2)cn1
InChIInChI=1S/C22H17ClN2O3S2/c1-15-6-10-20(14-24-15)30(27,28)25-18-8-11-22(21(23)13-18)29(26)19-9-7-16-4-2-3-5-17(16)12-19/h2-14,25H,1H3
InChIKeyPAEVYSLDGBVFBI-UHFFFAOYSA-N
XLogP5.16
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.98
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-naphthalen-2-ylsulfinylphenyl)-6-methylpyridine-3-sulfonamide?
The IUPAC name of N-(3-chloro-4-naphthalen-2-ylsulfinylphenyl)-6-methylpyridine-3-sulfonamide (CID 143108287) is N-(3-chloro-4-naphthalen-2-ylsulfinylphenyl)-6-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-naphthalen-2-ylsulfinylphenyl)-6-methylpyridine-3-sulfonamide?
The canonical SMILES for N-(3-chloro-4-naphthalen-2-ylsulfinylphenyl)-6-methylpyridine-3-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)c3ccc4ccccc4c3)c(Cl)c2)cn1.
What is the InChIKey of N-(3-chloro-4-naphthalen-2-ylsulfinylphenyl)-6-methylpyridine-3-sulfonamide?
The InChIKey is PAEVYSLDGBVFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3S2/c1-15-6-10-20(14-24-15)30(27,28)25-18-8-11-22(21(23)13-18)29(26)19-9-7-16-4-2-3-5-17(16)12-19/h2-14,25H,1H3.
What are the key properties of N-(3-chloro-4-naphthalen-2-ylsulfinylphenyl)-6-methylpyridine-3-sulfonamide?
N-(3-chloro-4-naphthalen-2-ylsulfinylphenyl)-6-methylpyridine-3-sulfonamide has a molecular weight of 456.98 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-naphthalen-2-ylsulfinylphenyl)-6-methylpyridine-3-sulfonamide is sourced from PubChem (CID 143108287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).