1,3-dimethyl-N-prop-2-ynylindazole-7-sulfonamide

C12H13N3O2S — CID 174175786

IUPAC1,3-dimethyl-N-prop-2-ynylindazole-7-sulfonamide
SMILESC#CCNS(=O)(=O)c1cccc2c(C)nn(C)c12
InChIInChI=1S/C12H13N3O2S/c1-4-8-13-18(16,17)11-7-5-6-10-9(2)14-15(3)12(10)11/h1,5-7,13H,8H2,2-3H3
InChIKeyVLFVEBJIUFFTKI-UHFFFAOYSA-N
MW263.32 g/mol
LogP0.79
Rot. Bonds3

About 1,3-dimethyl-N-prop-2-ynylindazole-7-sulfonamide

1,3-dimethyl-N-prop-2-ynylindazole-7-sulfonamide (PubChem CID 174175786) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 1,3-dimethyl-N-prop-2-ynylindazole-7-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-prop-2-ynylindazole-7-sulfonamide
PubChem CID174175786
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name1,3-dimethyl-N-prop-2-ynylindazole-7-sulfonamide
SMILESC#CCNS(=O)(=O)c1cccc2c(C)nn(C)c12
InChIInChI=1S/C12H13N3O2S/c1-4-8-13-18(16,17)11-7-5-6-10-9(2)14-15(3)12(10)11/h1,5-7,13H,8H2,2-3H3
InChIKeyVLFVEBJIUFFTKI-UHFFFAOYSA-N
XLogP0.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,3,5-trimethyl-N-prop-2-ynylpyrazole-4-sulfonamide
CID 55028509
ethane;1,3,7-trimethylindazole
CID 171820763
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
N-prop-2-ynyl-1-benzothiophene-3-sulfonamide
CID 134943057
1,3-dimethylindazole-7-carbonitrile
CID 83816263
5-bromo-3-methyl-N-prop-2-ynyltriazole-4-sulfonamide
CID 106467331
2-amino-6-methyl-N-prop-2-ynylbenzenesulfonamide
CID 61112321
N-but-3-ynylnaphthalene-1-sulfonamide
CID 115684178
2-hydrazinyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 79232961
2-bromo-6-chloro-N-prop-2-ynylbenzenesulfonamide
CID 130506038
1,3-dimethyl-7-(trifluoromethoxy)indazole
CID 133055459
N-but-3-ynyl-2-methylquinoline-8-sulfonamide
CID 90537994

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-prop-2-ynylindazole-7-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-prop-2-ynylindazole-7-sulfonamide (CID 174175786) is 1,3-dimethyl-N-prop-2-ynylindazole-7-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-prop-2-ynylindazole-7-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-prop-2-ynylindazole-7-sulfonamide is C#CCNS(=O)(=O)c1cccc2c(C)nn(C)c12.
What is the InChIKey of 1,3-dimethyl-N-prop-2-ynylindazole-7-sulfonamide?
The InChIKey is VLFVEBJIUFFTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-4-8-13-18(16,17)11-7-5-6-10-9(2)14-15(3)12(10)11/h1,5-7,13H,8H2,2-3H3.
What are the key properties of 1,3-dimethyl-N-prop-2-ynylindazole-7-sulfonamide?
1,3-dimethyl-N-prop-2-ynylindazole-7-sulfonamide has a molecular weight of 263.32 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-prop-2-ynylindazole-7-sulfonamide is sourced from PubChem (CID 174175786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).