4-(benzenesulfonyl)-6-chloro-N-[[(3R)-oxolan-3-yl]methyl]pyridazin-3-amine

C15H16ClN3O3S — CID 169090365

IUPAC4-(benzenesulfonyl)-6-chloro-N-[[(3R)-oxolan-3-yl]methyl]pyridazin-3-amine
SMILESO=S(=O)(c1ccccc1)c1cc(Cl)nnc1NC[C@H]1CCOC1
InChIInChI=1S/C15H16ClN3O3S/c16-14-8-13(23(20,21)12-4-2-1-3-5-12)15(19-18-14)17-9-11-6-7-22-10-11/h1-5,8,11H,6-7,9-10H2,(H,17,19)/t11-/m1/s1
InChIKeyPEICBZGPACWKLX-LLVKDONJSA-N
MW353.83 g/mol
LogP2.41
Rot. Bonds5

About 4-(benzenesulfonyl)-6-chloro-N-[[(3R)-oxolan-3-yl]methyl]pyridazin-3-amine

4-(benzenesulfonyl)-6-chloro-N-[[(3R)-oxolan-3-yl]methyl]pyridazin-3-amine (PubChem CID 169090365) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-6-chloro-N-[[(3R)-oxolan-3-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-6-chloro-N-[[(3R)-oxolan-3-yl]methyl]pyridazin-3-amine
PubChem CID169090365
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Name4-(benzenesulfonyl)-6-chloro-N-[[(3R)-oxolan-3-yl]methyl]pyridazin-3-amine
SMILESO=S(=O)(c1ccccc1)c1cc(Cl)nnc1NC[C@H]1CCOC1
InChIInChI=1S/C15H16ClN3O3S/c16-14-8-13(23(20,21)12-4-2-1-3-5-12)15(19-18-14)17-9-11-6-7-22-10-11/h1-5,8,11H,6-7,9-10H2,(H,17,19)/t11-/m1/s1
InChIKeyPEICBZGPACWKLX-LLVKDONJSA-N
XLogP2.41
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203502
6-chloro-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine
CID 115474100
4-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)phthalazin-1-amine
CID 165025420
2-methylsulfonyl-N-(oxolan-3-ylmethyl)aniline
CID 43724682
2,5-dichloro-N-(oxolan-3-ylmethyl)aniline
CID 43191026
1-(oxolan-3-ylmethylamino)isoquinoline-4-carboxylic acid
CID 106766978
N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320394
3-(oxolan-3-ylmethylamino)pyridazine-4-carbothioamide
CID 80511281
3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 61020967
5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine
CID 62823635
2-amino-N-(oxolan-3-ylmethyl)pyridine-3-sulfonamide
CID 62825249
4-N-(oxolan-3-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 115915559

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-6-chloro-N-[[(3R)-oxolan-3-yl]methyl]pyridazin-3-amine?
The IUPAC name of 4-(benzenesulfonyl)-6-chloro-N-[[(3R)-oxolan-3-yl]methyl]pyridazin-3-amine (CID 169090365) is 4-(benzenesulfonyl)-6-chloro-N-[[(3R)-oxolan-3-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-6-chloro-N-[[(3R)-oxolan-3-yl]methyl]pyridazin-3-amine?
The canonical SMILES for 4-(benzenesulfonyl)-6-chloro-N-[[(3R)-oxolan-3-yl]methyl]pyridazin-3-amine is O=S(=O)(c1ccccc1)c1cc(Cl)nnc1NC[C@H]1CCOC1.
What is the InChIKey of 4-(benzenesulfonyl)-6-chloro-N-[[(3R)-oxolan-3-yl]methyl]pyridazin-3-amine?
The InChIKey is PEICBZGPACWKLX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c16-14-8-13(23(20,21)12-4-2-1-3-5-12)15(19-18-14)17-9-11-6-7-22-10-11/h1-5,8,11H,6-7,9-10H2,(H,17,19)/t11-/m1/s1.
What are the key properties of 4-(benzenesulfonyl)-6-chloro-N-[[(3R)-oxolan-3-yl]methyl]pyridazin-3-amine?
4-(benzenesulfonyl)-6-chloro-N-[[(3R)-oxolan-3-yl]methyl]pyridazin-3-amine has a molecular weight of 353.83 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-6-chloro-N-[[(3R)-oxolan-3-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 169090365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).