N-(6-chloro-4-methylpyridazin-3-yl)-5-(dimethylamino)naphthalene-1-sulfonamide

C17H17ClN4O2S — CID 10833400

IUPACN-(6-chloro-4-methylpyridazin-3-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCc1cc(Cl)nnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C17H17ClN4O2S/c1-11-10-16(18)19-20-17(11)21-25(23,24)15-9-5-6-12-13(15)7-4-8-14(12)22(2)3/h4-10H,1-3H3,(H,20,21)
InChIKeyWTGLGALNVFXVHG-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.46
Rot. Bonds4

About N-(6-chloro-4-methylpyridazin-3-yl)-5-(dimethylamino)naphthalene-1-sulfonamide

N-(6-chloro-4-methylpyridazin-3-yl)-5-(dimethylamino)naphthalene-1-sulfonamide (PubChem CID 10833400) has the molecular formula C17H17ClN4O2S and a molecular weight of 376.87 g/mol. Its IUPAC name is N-(6-chloro-4-methylpyridazin-3-yl)-5-(dimethylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-4-methylpyridazin-3-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
PubChem CID10833400
Molecular FormulaC17H17ClN4O2S
Molecular Weight376.87 g/mol
Exact Mass376.08
IUPAC NameN-(6-chloro-4-methylpyridazin-3-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCc1cc(Cl)nnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C17H17ClN4O2S/c1-11-10-16(18)19-20-17(11)21-25(23,24)15-9-5-6-12-13(15)7-4-8-14(12)22(2)3/h4-10H,1-3H3,(H,20,21)
InChIKeyWTGLGALNVFXVHG-UHFFFAOYSA-N
XLogP3.46
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methylpyridazin-3-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-(6-chloro-4-methylpyridazin-3-yl)-5-(dimethylamino)naphthalene-1-sulfonamide (CID 10833400) is N-(6-chloro-4-methylpyridazin-3-yl)-5-(dimethylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(6-chloro-4-methylpyridazin-3-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-(6-chloro-4-methylpyridazin-3-yl)-5-(dimethylamino)naphthalene-1-sulfonamide is Cc1cc(Cl)nnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of N-(6-chloro-4-methylpyridazin-3-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The InChIKey is WTGLGALNVFXVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S/c1-11-10-16(18)19-20-17(11)21-25(23,24)15-9-5-6-12-13(15)7-4-8-14(12)22(2)3/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-(6-chloro-4-methylpyridazin-3-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
N-(6-chloro-4-methylpyridazin-3-yl)-5-(dimethylamino)naphthalene-1-sulfonamide has a molecular weight of 376.87 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methylpyridazin-3-yl)-5-(dimethylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 10833400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).