N,2,2-trimethyl-N-(6-methylpyridazin-3-yl)-3H-1-benzofuran-7-sulfonamide

C16H19N3O3S — CID 126799663

IUPACN,2,2-trimethyl-N-(6-methylpyridazin-3-yl)-3H-1-benzofuran-7-sulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc3c2OC(C)(C)C3)nn1
InChIInChI=1S/C16H19N3O3S/c1-11-8-9-14(18-17-11)19(4)23(20,21)13-7-5-6-12-10-16(2,3)22-15(12)13/h5-9H,10H2,1-4H3
InChIKeyOUPCVAVFASVVRF-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.32
Rot. Bonds3

About N,2,2-trimethyl-N-(6-methylpyridazin-3-yl)-3H-1-benzofuran-7-sulfonamide

N,2,2-trimethyl-N-(6-methylpyridazin-3-yl)-3H-1-benzofuran-7-sulfonamide (PubChem CID 126799663) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(6-methylpyridazin-3-yl)-3H-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(6-methylpyridazin-3-yl)-3H-1-benzofuran-7-sulfonamide
PubChem CID126799663
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN,2,2-trimethyl-N-(6-methylpyridazin-3-yl)-3H-1-benzofuran-7-sulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc3c2OC(C)(C)C3)nn1
InChIInChI=1S/C16H19N3O3S/c1-11-8-9-14(18-17-11)19(4)23(20,21)13-7-5-6-12-10-16(2,3)22-15(12)13/h5-9H,10H2,1-4H3
InChIKeyOUPCVAVFASVVRF-UHFFFAOYSA-N
XLogP2.32
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl-methylamino]-3-fluorobenzamide
CID 126804393
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,2-trimethyl-3H-1-benzofuran-7-sulfonamide
CID 99836810
N-(6-chloropyridazin-3-yl)-N-methyl-2,3-dihydro-1,4-benzodioxine-5-sulfonamide
CID 167764282
N,2,2-trimethyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3H-1-benzofuran-7-sulfonamide
CID 99836946
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-1-methylpiperazin-2-one
CID 99836918
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 126795085
N-(6-chloropyridazin-3-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylacetamide
CID 151909001
N-[[5-(difluoromethyl)-1-methyltriazol-4-yl]methyl]-2,2-dimethyl-3H-1-benzofuran-7-sulfonamide
CID 167881135
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]-4-(1-methylpyrazol-4-yl)piperazine
CID 99836932
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-ethylpyridazin-3-yl)-N-methylacetamide
CID 147393341
4-[(2R)-1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)sulfonyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
CID 129403692
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl-methylamino]-2-methylpropanoic acid
CID 65061234

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(6-methylpyridazin-3-yl)-3H-1-benzofuran-7-sulfonamide?
The IUPAC name of N,2,2-trimethyl-N-(6-methylpyridazin-3-yl)-3H-1-benzofuran-7-sulfonamide (CID 126799663) is N,2,2-trimethyl-N-(6-methylpyridazin-3-yl)-3H-1-benzofuran-7-sulfonamide.
What is the SMILES notation for N,2,2-trimethyl-N-(6-methylpyridazin-3-yl)-3H-1-benzofuran-7-sulfonamide?
The canonical SMILES for N,2,2-trimethyl-N-(6-methylpyridazin-3-yl)-3H-1-benzofuran-7-sulfonamide is Cc1ccc(N(C)S(=O)(=O)c2cccc3c2OC(C)(C)C3)nn1.
What is the InChIKey of N,2,2-trimethyl-N-(6-methylpyridazin-3-yl)-3H-1-benzofuran-7-sulfonamide?
The InChIKey is OUPCVAVFASVVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11-8-9-14(18-17-11)19(4)23(20,21)13-7-5-6-12-10-16(2,3)22-15(12)13/h5-9H,10H2,1-4H3.
What are the key properties of N,2,2-trimethyl-N-(6-methylpyridazin-3-yl)-3H-1-benzofuran-7-sulfonamide?
N,2,2-trimethyl-N-(6-methylpyridazin-3-yl)-3H-1-benzofuran-7-sulfonamide has a molecular weight of 333.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(6-methylpyridazin-3-yl)-3H-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 126799663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).