N-cyclopentyl-2-methyl-5-(6-methylpyridazin-4-yl)benzenesulfonamide

C17H21N3O2S — CID 155552980

IUPACN-cyclopentyl-2-methyl-5-(6-methylpyridazin-4-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)cnn1
InChIInChI=1S/C17H21N3O2S/c1-12-7-8-14(15-9-13(2)19-18-11-15)10-17(12)23(21,22)20-16-5-3-4-6-16/h7-11,16,20H,3-6H2,1-2H3
InChIKeyFGIHJNWTWCXSLO-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.98
Rot. Bonds4

About N-cyclopentyl-2-methyl-5-(6-methylpyridazin-4-yl)benzenesulfonamide

N-cyclopentyl-2-methyl-5-(6-methylpyridazin-4-yl)benzenesulfonamide (PubChem CID 155552980) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-5-(6-methylpyridazin-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-5-(6-methylpyridazin-4-yl)benzenesulfonamide
PubChem CID155552980
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-cyclopentyl-2-methyl-5-(6-methylpyridazin-4-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)cnn1
InChIInChI=1S/C17H21N3O2S/c1-12-7-8-14(15-9-13(2)19-18-11-15)10-17(12)23(21,22)20-16-5-3-4-6-16/h7-11,16,20H,3-6H2,1-2H3
InChIKeyFGIHJNWTWCXSLO-UHFFFAOYSA-N
XLogP2.98
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-5-(6-methylpyridazin-4-yl)benzenesulfonamide?
The IUPAC name of N-cyclopentyl-2-methyl-5-(6-methylpyridazin-4-yl)benzenesulfonamide (CID 155552980) is N-cyclopentyl-2-methyl-5-(6-methylpyridazin-4-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-2-methyl-5-(6-methylpyridazin-4-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-2-methyl-5-(6-methylpyridazin-4-yl)benzenesulfonamide is Cc1cc(-c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)cnn1.
What is the InChIKey of N-cyclopentyl-2-methyl-5-(6-methylpyridazin-4-yl)benzenesulfonamide?
The InChIKey is FGIHJNWTWCXSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-7-8-14(15-9-13(2)19-18-11-15)10-17(12)23(21,22)20-16-5-3-4-6-16/h7-11,16,20H,3-6H2,1-2H3.
What are the key properties of N-cyclopentyl-2-methyl-5-(6-methylpyridazin-4-yl)benzenesulfonamide?
N-cyclopentyl-2-methyl-5-(6-methylpyridazin-4-yl)benzenesulfonamide has a molecular weight of 331.44 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-5-(6-methylpyridazin-4-yl)benzenesulfonamide is sourced from PubChem (CID 155552980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).