5-(2-methylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide

C17H18N4O2S2 — CID 71586508

IUPAC5-(2-methylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
SMILESCC1CCCN1c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12
InChIInChI=1S/C17H18N4O2S2/c1-12-4-3-9-21(12)16-6-2-5-13-10-14(7-8-15(13)16)25(22,23)20-17-18-11-19-24-17/h2,5-8,10-12H,3-4,9H2,1H3,(H,18,19,20)
InChIKeyHXHONJOGHINXKL-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.48
Rot. Bonds4

About 5-(2-methylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide

5-(2-methylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide (PubChem CID 71586508) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-(2-methylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-methylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
PubChem CID71586508
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC Name5-(2-methylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
SMILESCC1CCCN1c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12
InChIInChI=1S/C17H18N4O2S2/c1-12-4-3-9-21(12)16-6-2-5-13-10-14(7-8-15(13)16)25(22,23)20-17-18-11-19-24-17/h2,5-8,10-12H,3-4,9H2,1H3,(H,18,19,20)
InChIKeyHXHONJOGHINXKL-UHFFFAOYSA-N
XLogP3.48
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The IUPAC name of 5-(2-methylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide (CID 71586508) is 5-(2-methylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for 5-(2-methylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The canonical SMILES for 5-(2-methylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide is CC1CCCN1c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12.
What is the InChIKey of 5-(2-methylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The InChIKey is HXHONJOGHINXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-12-4-3-9-21(12)16-6-2-5-13-10-14(7-8-15(13)16)25(22,23)20-17-18-11-19-24-17/h2,5-8,10-12H,3-4,9H2,1H3,(H,18,19,20).
What are the key properties of 5-(2-methylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
5-(2-methylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide has a molecular weight of 374.49 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 71586508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).