2-chloro-N-methyl-5-propyl-N-pyridazin-3-ylbenzenesulfonamide

C14H16ClN3O2S — CID 100631540

IUPAC2-chloro-N-methyl-5-propyl-N-pyridazin-3-ylbenzenesulfonamide
SMILESCCCc1ccc(Cl)c(S(=O)(=O)N(C)c2cccnn2)c1
InChIInChI=1S/C14H16ClN3O2S/c1-3-5-11-7-8-12(15)13(10-11)21(19,20)18(2)14-6-4-9-16-17-14/h4,6-10H,3,5H2,1-2H3
InChIKeyYYOIAIJPOIMCJW-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.91
Rot. Bonds5

About 2-chloro-N-methyl-5-propyl-N-pyridazin-3-ylbenzenesulfonamide

2-chloro-N-methyl-5-propyl-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 100631540) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-propyl-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-propyl-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID100631540
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name2-chloro-N-methyl-5-propyl-N-pyridazin-3-ylbenzenesulfonamide
SMILESCCCc1ccc(Cl)c(S(=O)(=O)N(C)c2cccnn2)c1
InChIInChI=1S/C14H16ClN3O2S/c1-3-5-11-7-8-12(15)13(10-11)21(19,20)18(2)14-6-4-9-16-17-14/h4,6-10H,3,5H2,1-2H3
InChIKeyYYOIAIJPOIMCJW-UHFFFAOYSA-N
XLogP2.91
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-fluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 58042287
5-chloro-2-fluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 141274611
US20250115569, Example 209
CID 176509412
3-(4-((2-Chloro-5-(trifluoromethyl)phenyl)sulfonyl)piperazin-1-yl)pyridazine
CID 121060950
5-chloro-N-methyl-N-pyridazin-3-yl-2-(trifluoromethyl)benzenesulfonamide
CID 167852370
N-(6-Chloro-3-pyridazinyl)-N-methyl-p-toluenesulfonamide
CID 18509276
N-methyl-N-pyridazin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 86807387
N-methyl-4-(2-methylpropyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 86807389
2,4-dichloro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084029
2-chloro-5-(ethylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084037
2,4-dichloro-5-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084060
5-(aminomethyl)-2-chloro-N-pyridazin-3-ylbenzenesulfonamide
CID 106084061

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-propyl-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-methyl-5-propyl-N-pyridazin-3-ylbenzenesulfonamide (CID 100631540) is 2-chloro-N-methyl-5-propyl-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-5-propyl-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-methyl-5-propyl-N-pyridazin-3-ylbenzenesulfonamide is CCCc1ccc(Cl)c(S(=O)(=O)N(C)c2cccnn2)c1.
What is the InChIKey of 2-chloro-N-methyl-5-propyl-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is YYOIAIJPOIMCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-3-5-11-7-8-12(15)13(10-11)21(19,20)18(2)14-6-4-9-16-17-14/h4,6-10H,3,5H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-5-propyl-N-pyridazin-3-ylbenzenesulfonamide?
2-chloro-N-methyl-5-propyl-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 325.82 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-propyl-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 100631540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).