4-[2,2-dimethyl-3-[(pyridazin-3-ylamino)methyl]cyclopropyl]benzenesulfonamide

C16H20N4O2S — CID 73050902

IUPAC4-[2,2-dimethyl-3-[(pyridazin-3-ylamino)methyl]cyclopropyl]benzenesulfonamide
SMILESCC1(C)C(CNc2cccnn2)C1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H20N4O2S/c1-16(2)13(10-18-14-4-3-9-19-20-14)15(16)11-5-7-12(8-6-11)23(17,21)22/h3-9,13,15H,10H2,1-2H3,(H,18,20)(H2,17,21,22)
InChIKeyJRPZLEPQPOKLJS-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.98
Rot. Bonds5

About 4-[2,2-dimethyl-3-[(pyridazin-3-ylamino)methyl]cyclopropyl]benzenesulfonamide

4-[2,2-dimethyl-3-[(pyridazin-3-ylamino)methyl]cyclopropyl]benzenesulfonamide (PubChem CID 73050902) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-[2,2-dimethyl-3-[(pyridazin-3-ylamino)methyl]cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2,2-dimethyl-3-[(pyridazin-3-ylamino)methyl]cyclopropyl]benzenesulfonamide
PubChem CID73050902
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name4-[2,2-dimethyl-3-[(pyridazin-3-ylamino)methyl]cyclopropyl]benzenesulfonamide
SMILESCC1(C)C(CNc2cccnn2)C1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H20N4O2S/c1-16(2)13(10-18-14-4-3-9-19-20-14)15(16)11-5-7-12(8-6-11)23(17,21)22/h3-9,13,15H,10H2,1-2H3,(H,18,20)(H2,17,21,22)
InChIKeyJRPZLEPQPOKLJS-UHFFFAOYSA-N
XLogP1.98
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-dimethyl-3-[(pyridazin-3-ylamino)methyl]cyclopropyl]benzenesulfonamide?
The IUPAC name of 4-[2,2-dimethyl-3-[(pyridazin-3-ylamino)methyl]cyclopropyl]benzenesulfonamide (CID 73050902) is 4-[2,2-dimethyl-3-[(pyridazin-3-ylamino)methyl]cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 4-[2,2-dimethyl-3-[(pyridazin-3-ylamino)methyl]cyclopropyl]benzenesulfonamide?
The canonical SMILES for 4-[2,2-dimethyl-3-[(pyridazin-3-ylamino)methyl]cyclopropyl]benzenesulfonamide is CC1(C)C(CNc2cccnn2)C1c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2,2-dimethyl-3-[(pyridazin-3-ylamino)methyl]cyclopropyl]benzenesulfonamide?
The InChIKey is JRPZLEPQPOKLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-16(2)13(10-18-14-4-3-9-19-20-14)15(16)11-5-7-12(8-6-11)23(17,21)22/h3-9,13,15H,10H2,1-2H3,(H,18,20)(H2,17,21,22).
What are the key properties of 4-[2,2-dimethyl-3-[(pyridazin-3-ylamino)methyl]cyclopropyl]benzenesulfonamide?
4-[2,2-dimethyl-3-[(pyridazin-3-ylamino)methyl]cyclopropyl]benzenesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-dimethyl-3-[(pyridazin-3-ylamino)methyl]cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 73050902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).