3-(6-aminopyridazin-3-yl)-N-cyclopropylbenzenesulfonamide

C13H14N4O2S — CID 178030384

IUPAC3-(6-aminopyridazin-3-yl)-N-cyclopropylbenzenesulfonamide
SMILESNc1ccc(-c2cccc(S(=O)(=O)NC3CC3)c2)nn1
InChIInChI=1S/C13H14N4O2S/c14-13-7-6-12(15-16-13)9-2-1-3-11(8-9)20(18,19)17-10-4-5-10/h1-3,6-8,10,17H,4-5H2,(H2,14,16)
InChIKeyRWVWXKPNQDYFAX-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.17
Rot. Bonds4

About 3-(6-aminopyridazin-3-yl)-N-cyclopropylbenzenesulfonamide

3-(6-aminopyridazin-3-yl)-N-cyclopropylbenzenesulfonamide (PubChem CID 178030384) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 3-(6-aminopyridazin-3-yl)-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name3-(6-aminopyridazin-3-yl)-N-cyclopropylbenzenesulfonamide
PubChem CID178030384
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name3-(6-aminopyridazin-3-yl)-N-cyclopropylbenzenesulfonamide
SMILESNc1ccc(-c2cccc(S(=O)(=O)NC3CC3)c2)nn1
InChIInChI=1S/C13H14N4O2S/c14-13-7-6-12(15-16-13)9-2-1-3-11(8-9)20(18,19)17-10-4-5-10/h1-3,6-8,10,17H,4-5H2,(H2,14,16)
InChIKeyRWVWXKPNQDYFAX-UHFFFAOYSA-N
XLogP1.17
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-amino-1,3-thiazol-4-yl)-N-cyclopropylbenzenesulfonamide
CID 39404850
3-(6-amino-3-methyl-2-pyridinyl)-N-cyclopropylbenzenesulfonamide
CID 140766860
N-cyclopropyl-3-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide
CID 135215672
N-(4-aminocyclohexyl)-3-fluorobenzenesulfonamide;hydrochloride
CID 119970669
3-tert-butyl-N-cyclopropylbenzenesulfonamide
CID 59019434
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-cyclopropylbenzenesulfonamide
CID 126782366
N-(4-aminocyclohexyl)-3-bromobenzenesulfonamide
CID 62314743
3-amino-N-(oxan-4-yl)benzenesulfonamide
CID 43609614
N-(4-bromocyclohexyl)-3-fluorobenzenesulfonamide
CID 113271378
(2R)-2-amino-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide
CID 54995716
3-N-cyclopropyl-1-N-[4-(trifluoromethyl)cyclohexyl]benzene-1,3-disulfonamide
CID 78842483
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335

Frequently Asked Questions

What is the IUPAC name of 3-(6-aminopyridazin-3-yl)-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 3-(6-aminopyridazin-3-yl)-N-cyclopropylbenzenesulfonamide (CID 178030384) is 3-(6-aminopyridazin-3-yl)-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 3-(6-aminopyridazin-3-yl)-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 3-(6-aminopyridazin-3-yl)-N-cyclopropylbenzenesulfonamide is Nc1ccc(-c2cccc(S(=O)(=O)NC3CC3)c2)nn1.
What is the InChIKey of 3-(6-aminopyridazin-3-yl)-N-cyclopropylbenzenesulfonamide?
The InChIKey is RWVWXKPNQDYFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c14-13-7-6-12(15-16-13)9-2-1-3-11(8-9)20(18,19)17-10-4-5-10/h1-3,6-8,10,17H,4-5H2,(H2,14,16).
What are the key properties of 3-(6-aminopyridazin-3-yl)-N-cyclopropylbenzenesulfonamide?
3-(6-aminopyridazin-3-yl)-N-cyclopropylbenzenesulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-aminopyridazin-3-yl)-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 178030384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).