N-[6-(2-tert-butylanilino)pyridazin-3-yl]thiophene-2-sulfonamide

C18H20N4O2S2 — CID 113047104

IUPACN-[6-(2-tert-butylanilino)pyridazin-3-yl]thiophene-2-sulfonamide
SMILESCC(C)(C)c1ccccc1Nc1ccc(NS(=O)(=O)c2cccs2)nn1
InChIInChI=1S/C18H20N4O2S2/c1-18(2,3)13-7-4-5-8-14(13)19-15-10-11-16(21-20-15)22-26(23,24)17-9-6-12-25-17/h4-12H,1-3H3,(H,19,20)(H,21,22)
InChIKeyWBLUJZMDEPHYKM-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.38
Rot. Bonds5

About N-[6-(2-tert-butylanilino)pyridazin-3-yl]thiophene-2-sulfonamide

N-[6-(2-tert-butylanilino)pyridazin-3-yl]thiophene-2-sulfonamide (PubChem CID 113047104) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[6-(2-tert-butylanilino)pyridazin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(2-tert-butylanilino)pyridazin-3-yl]thiophene-2-sulfonamide
PubChem CID113047104
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC NameN-[6-(2-tert-butylanilino)pyridazin-3-yl]thiophene-2-sulfonamide
SMILESCC(C)(C)c1ccccc1Nc1ccc(NS(=O)(=O)c2cccs2)nn1
InChIInChI=1S/C18H20N4O2S2/c1-18(2,3)13-7-4-5-8-14(13)19-15-10-11-16(21-20-15)22-26(23,24)17-9-6-12-25-17/h4-12H,1-3H3,(H,19,20)(H,21,22)
InChIKeyWBLUJZMDEPHYKM-UHFFFAOYSA-N
XLogP4.38
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-tert-butylphenyl)thiophene-2-sulfonamide
CID 3861926
N-[6-(2-tert-butylanilino)pyridazin-3-yl]methanesulfonamide
CID 113047098
N-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113044334
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113051603
N-[6-(2-tert-butylanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113047101
N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113048262
N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 893587
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
N-[6-(2-tert-butylanilino)pyridazin-3-yl]-2-methylpropanamide
CID 113047079
methyl 2-[[5-(thiophen-2-ylsulfonylamino)-2-pyridinyl]amino]benzoate
CID 113020656
N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113047421
N-(1-methylpyrazol-3-yl)thiophene-2-sulfonamide
CID 17378925

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-tert-butylanilino)pyridazin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[6-(2-tert-butylanilino)pyridazin-3-yl]thiophene-2-sulfonamide (CID 113047104) is N-[6-(2-tert-butylanilino)pyridazin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[6-(2-tert-butylanilino)pyridazin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[6-(2-tert-butylanilino)pyridazin-3-yl]thiophene-2-sulfonamide is CC(C)(C)c1ccccc1Nc1ccc(NS(=O)(=O)c2cccs2)nn1.
What is the InChIKey of N-[6-(2-tert-butylanilino)pyridazin-3-yl]thiophene-2-sulfonamide?
The InChIKey is WBLUJZMDEPHYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c1-18(2,3)13-7-4-5-8-14(13)19-15-10-11-16(21-20-15)22-26(23,24)17-9-6-12-25-17/h4-12H,1-3H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-(2-tert-butylanilino)pyridazin-3-yl]thiophene-2-sulfonamide?
N-[6-(2-tert-butylanilino)pyridazin-3-yl]thiophene-2-sulfonamide has a molecular weight of 388.52 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-tert-butylanilino)pyridazin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 113047104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).