5-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide

C20H18N4O2S2 — CID 71586606

IUPAC5-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
SMILESCN(Cc1ccccc1)c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12
InChIInChI=1S/C20H18N4O2S2/c1-24(13-15-6-3-2-4-7-15)19-9-5-8-16-12-17(10-11-18(16)19)28(25,26)23-20-21-14-22-27-20/h2-12,14H,13H2,1H3,(H,21,22,23)
InChIKeyPAKGCKHUOFTJEM-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.13
Rot. Bonds6

About 5-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide

5-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide (PubChem CID 71586606) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
PubChem CID71586606
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC Name5-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
SMILESCN(Cc1ccccc1)c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12
InChIInChI=1S/C20H18N4O2S2/c1-24(13-15-6-3-2-4-7-15)19-9-5-8-16-12-17(10-11-18(16)19)28(25,26)23-20-21-14-22-27-20/h2-12,14H,13H2,1H3,(H,21,22,23)
InChIKeyPAKGCKHUOFTJEM-UHFFFAOYSA-N
XLogP4.13
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The IUPAC name of 5-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide (CID 71586606) is 5-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for 5-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The canonical SMILES for 5-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide is CN(Cc1ccccc1)c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12.
What is the InChIKey of 5-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The InChIKey is PAKGCKHUOFTJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-24(13-15-6-3-2-4-7-15)19-9-5-8-16-12-17(10-11-18(16)19)28(25,26)23-20-21-14-22-27-20/h2-12,14H,13H2,1H3,(H,21,22,23).
What are the key properties of 5-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
5-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide has a molecular weight of 410.52 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 71586606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).