3,5-dichloro-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-1-yl]benzenesulfonamide

C19H13Cl2N3O3S — CID 58497033

IUPAC3,5-dichloro-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-1-yl]benzenesulfonamide
SMILESCc1nc(-c2ccc3c(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)cccc3c2)no1
InChIInChI=1S/C19H13Cl2N3O3S/c1-11-22-19(23-27-11)13-5-6-17-12(7-13)3-2-4-18(17)24-28(25,26)16-9-14(20)8-15(21)10-16/h2-10,24H,1H3
InChIKeyQQQRBSZPZRIEPG-UHFFFAOYSA-N
MW434.30 g/mol
LogP5.31
Rot. Bonds4

About 3,5-dichloro-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-1-yl]benzenesulfonamide

3,5-dichloro-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-1-yl]benzenesulfonamide (PubChem CID 58497033) has the molecular formula C19H13Cl2N3O3S and a molecular weight of 434.30 g/mol. Its IUPAC name is 3,5-dichloro-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-1-yl]benzenesulfonamide
PubChem CID58497033
Molecular FormulaC19H13Cl2N3O3S
Molecular Weight434.30 g/mol
Exact Mass433.01
IUPAC Name3,5-dichloro-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-1-yl]benzenesulfonamide
SMILESCc1nc(-c2ccc3c(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)cccc3c2)no1
InChIInChI=1S/C19H13Cl2N3O3S/c1-11-22-19(23-27-11)13-5-6-17-12(7-13)3-2-4-18(17)24-28(25,26)16-9-14(20)8-15(21)10-16/h2-10,24H,1H3
InChIKeyQQQRBSZPZRIEPG-UHFFFAOYSA-N
XLogP5.31
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.30
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-dichloro-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-1-yl]benzenesulfonamide with MolForge

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Related Compounds

N-[4,5-dichloro-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 57383064
N-(3,4-difluorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 53042636
3-chloro-5-fluoro-N-naphthalen-1-ylbenzenesulfonamide
CID 59533991
3,5-dichloro-N-(5-hydroxynaphthalen-1-yl)benzenesulfonamide
CID 58496706
3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole
CID 684002
3-chloro-5-methyl-N-[5-(3-methyl-1,2,4-oxadiazol-5-yl)naphthalen-2-yl]benzenesulfonamide
CID 143878913
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 46365646
N-(4-ethoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 53042625
3,5-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 4993615
3-chloro-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 110643674
5-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylnaphthalene-1-sulfonamide;methane
CID 159593175
(2S)-3-methyl-2-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)dibenzofuran-3-yl]sulfonylamino]butanoic acid
CID 68502473

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-1-yl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-1-yl]benzenesulfonamide (CID 58497033) is 3,5-dichloro-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-1-yl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-1-yl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-1-yl]benzenesulfonamide is Cc1nc(-c2ccc3c(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)cccc3c2)no1.
What is the InChIKey of 3,5-dichloro-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-1-yl]benzenesulfonamide?
The InChIKey is QQQRBSZPZRIEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O3S/c1-11-22-19(23-27-11)13-5-6-17-12(7-13)3-2-4-18(17)24-28(25,26)16-9-14(20)8-15(21)10-16/h2-10,24H,1H3.
What are the key properties of 3,5-dichloro-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-1-yl]benzenesulfonamide?
3,5-dichloro-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-1-yl]benzenesulfonamide has a molecular weight of 434.30 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)naphthalen-1-yl]benzenesulfonamide is sourced from PubChem (CID 58497033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).