N-(6-tert-butylpyridazin-3-yl)-2-chloro-3-methylbenzenesulfonamide

C15H18ClN3O2S — CID 86807271

IUPACN-(6-tert-butylpyridazin-3-yl)-2-chloro-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(C(C)(C)C)nn2)c1Cl
InChIInChI=1S/C15H18ClN3O2S/c1-10-6-5-7-11(14(10)16)22(20,21)19-13-9-8-12(17-18-13)15(2,3)4/h5-9H,1-4H3,(H,18,19)
InChIKeyFHOXMNQRYUDUDK-UHFFFAOYSA-N
MW339.85 g/mol
LogP3.54
Rot. Bonds3

About N-(6-tert-butylpyridazin-3-yl)-2-chloro-3-methylbenzenesulfonamide

N-(6-tert-butylpyridazin-3-yl)-2-chloro-3-methylbenzenesulfonamide (PubChem CID 86807271) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is N-(6-tert-butylpyridazin-3-yl)-2-chloro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-tert-butylpyridazin-3-yl)-2-chloro-3-methylbenzenesulfonamide
PubChem CID86807271
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC NameN-(6-tert-butylpyridazin-3-yl)-2-chloro-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(C(C)(C)C)nn2)c1Cl
InChIInChI=1S/C15H18ClN3O2S/c1-10-6-5-7-11(14(10)16)22(20,21)19-13-9-8-12(17-18-13)15(2,3)4/h5-9H,1-4H3,(H,18,19)
InChIKeyFHOXMNQRYUDUDK-UHFFFAOYSA-N
XLogP3.54
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-3-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 166324507
2,3-dichloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 9330124
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113047599
N-[6-(tert-butylamino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113044314
N-[6-(diethylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113044074
4-tert-butyl-N-[6-(propan-2-ylamino)pyridazin-3-yl]benzenesulfonamide
CID 113038031
N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzenesulfonamide
CID 113040931
4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045875
N-[6-(3-chloroanilino)pyridazin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 113047502
N-[6-(2,3-dimethylanilino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 113046610
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113047802
4-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 118115921

Frequently Asked Questions

What is the IUPAC name of N-(6-tert-butylpyridazin-3-yl)-2-chloro-3-methylbenzenesulfonamide?
The IUPAC name of N-(6-tert-butylpyridazin-3-yl)-2-chloro-3-methylbenzenesulfonamide (CID 86807271) is N-(6-tert-butylpyridazin-3-yl)-2-chloro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(6-tert-butylpyridazin-3-yl)-2-chloro-3-methylbenzenesulfonamide?
The canonical SMILES for N-(6-tert-butylpyridazin-3-yl)-2-chloro-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(C(C)(C)C)nn2)c1Cl.
What is the InChIKey of N-(6-tert-butylpyridazin-3-yl)-2-chloro-3-methylbenzenesulfonamide?
The InChIKey is FHOXMNQRYUDUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-10-6-5-7-11(14(10)16)22(20,21)19-13-9-8-12(17-18-13)15(2,3)4/h5-9H,1-4H3,(H,18,19).
What are the key properties of N-(6-tert-butylpyridazin-3-yl)-2-chloro-3-methylbenzenesulfonamide?
N-(6-tert-butylpyridazin-3-yl)-2-chloro-3-methylbenzenesulfonamide has a molecular weight of 339.85 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-tert-butylpyridazin-3-yl)-2-chloro-3-methylbenzenesulfonamide is sourced from PubChem (CID 86807271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).