3,3-dimethyl-2-oxo-N-pyridazin-3-yl-1H-indole-5-sulfonamide

C14H14N4O3S — CID 167808491

IUPAC3,3-dimethyl-2-oxo-N-pyridazin-3-yl-1H-indole-5-sulfonamide
SMILESCC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnn3)cc21
InChIInChI=1S/C14H14N4O3S/c1-14(2)10-8-9(5-6-11(10)16-13(14)19)22(20,21)18-12-4-3-7-15-17-12/h3-8H,1-2H3,(H,16,19)(H,17,18)
InChIKeyRUKWMSSNPVMPPG-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.51
Rot. Bonds3

About 3,3-dimethyl-2-oxo-N-pyridazin-3-yl-1H-indole-5-sulfonamide

3,3-dimethyl-2-oxo-N-pyridazin-3-yl-1H-indole-5-sulfonamide (PubChem CID 167808491) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 3,3-dimethyl-2-oxo-N-pyridazin-3-yl-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3,3-dimethyl-2-oxo-N-pyridazin-3-yl-1H-indole-5-sulfonamide
PubChem CID167808491
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Name3,3-dimethyl-2-oxo-N-pyridazin-3-yl-1H-indole-5-sulfonamide
SMILESCC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnn3)cc21
InChIInChI=1S/C14H14N4O3S/c1-14(2)10-8-9(5-6-11(10)16-13(14)19)22(20,21)18-12-4-3-7-15-17-12/h3-8H,1-2H3,(H,16,19)(H,17,18)
InChIKeyRUKWMSSNPVMPPG-UHFFFAOYSA-N
XLogP1.51
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-2-oxo-N-(5-phenyl-1H-pyrazol-3-yl)-1H-indole-5-sulfonamide
CID 154863606
N-(2,6-difluorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384568
N-(2-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384518
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110675394
4-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 118115921
N-butan-2-yl-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 56687358
6-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787805
4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084156
4-nitro-N-pyridazin-3-ylbenzenesulfonamide
CID 127501672
3,3-dimethyl-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide
CID 110384507
N-[(2-methoxyphenyl)methyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 20921805
4-acetyl-N-pyridazin-3-ylbenzenesulfonamide
CID 116787283

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-oxo-N-pyridazin-3-yl-1H-indole-5-sulfonamide?
The IUPAC name of 3,3-dimethyl-2-oxo-N-pyridazin-3-yl-1H-indole-5-sulfonamide (CID 167808491) is 3,3-dimethyl-2-oxo-N-pyridazin-3-yl-1H-indole-5-sulfonamide.
What is the SMILES notation for 3,3-dimethyl-2-oxo-N-pyridazin-3-yl-1H-indole-5-sulfonamide?
The canonical SMILES for 3,3-dimethyl-2-oxo-N-pyridazin-3-yl-1H-indole-5-sulfonamide is CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnn3)cc21.
What is the InChIKey of 3,3-dimethyl-2-oxo-N-pyridazin-3-yl-1H-indole-5-sulfonamide?
The InChIKey is RUKWMSSNPVMPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c1-14(2)10-8-9(5-6-11(10)16-13(14)19)22(20,21)18-12-4-3-7-15-17-12/h3-8H,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 3,3-dimethyl-2-oxo-N-pyridazin-3-yl-1H-indole-5-sulfonamide?
3,3-dimethyl-2-oxo-N-pyridazin-3-yl-1H-indole-5-sulfonamide has a molecular weight of 318.36 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-oxo-N-pyridazin-3-yl-1H-indole-5-sulfonamide is sourced from PubChem (CID 167808491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).