N-[(2-thiophen-2-yl-4-pyridinyl)methyl]naphthalene-1-sulfonamide

C20H16N2O2S2 — CID 91817222

IUPACN-[(2-thiophen-2-yl-4-pyridinyl)methyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NCc1ccnc(-c2cccs2)c1)c1cccc2ccccc12
InChIInChI=1S/C20H16N2O2S2/c23-26(24,20-9-3-6-16-5-1-2-7-17(16)20)22-14-15-10-11-21-18(13-15)19-8-4-12-25-19/h1-13,22H,14H2
InChIKeySPCVKUJDUKCBDZ-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.44
Rot. Bonds5

About N-[(2-thiophen-2-yl-4-pyridinyl)methyl]naphthalene-1-sulfonamide

N-[(2-thiophen-2-yl-4-pyridinyl)methyl]naphthalene-1-sulfonamide (PubChem CID 91817222) has the molecular formula C20H16N2O2S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[(2-thiophen-2-yl-4-pyridinyl)methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-thiophen-2-yl-4-pyridinyl)methyl]naphthalene-1-sulfonamide
PubChem CID91817222
Molecular FormulaC20H16N2O2S2
Molecular Weight380.49 g/mol
Exact Mass380.07
IUPAC NameN-[(2-thiophen-2-yl-4-pyridinyl)methyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NCc1ccnc(-c2cccs2)c1)c1cccc2ccccc12
InChIInChI=1S/C20H16N2O2S2/c23-26(24,20-9-3-6-16-5-1-2-7-17(16)20)22-14-15-10-11-21-18(13-15)19-8-4-12-25-19/h1-13,22H,14H2
InChIKeySPCVKUJDUKCBDZ-UHFFFAOYSA-N
XLogP4.44
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-2-yl-4-pyridinyl)methyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[(2-thiophen-2-yl-4-pyridinyl)methyl]naphthalene-1-sulfonamide (CID 91817222) is N-[(2-thiophen-2-yl-4-pyridinyl)methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(2-thiophen-2-yl-4-pyridinyl)methyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[(2-thiophen-2-yl-4-pyridinyl)methyl]naphthalene-1-sulfonamide is O=S(=O)(NCc1ccnc(-c2cccs2)c1)c1cccc2ccccc12.
What is the InChIKey of N-[(2-thiophen-2-yl-4-pyridinyl)methyl]naphthalene-1-sulfonamide?
The InChIKey is SPCVKUJDUKCBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S2/c23-26(24,20-9-3-6-16-5-1-2-7-17(16)20)22-14-15-10-11-21-18(13-15)19-8-4-12-25-19/h1-13,22H,14H2.
What are the key properties of N-[(2-thiophen-2-yl-4-pyridinyl)methyl]naphthalene-1-sulfonamide?
N-[(2-thiophen-2-yl-4-pyridinyl)methyl]naphthalene-1-sulfonamide has a molecular weight of 380.49 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-2-yl-4-pyridinyl)methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 91817222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).