1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazole-4-sulfonamide

C13H15N3O3S — CID 104772593

IUPAC1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(CC2CCOc3ccccc32)c1
InChIInChI=1S/C13H15N3O3S/c14-20(17,18)11-7-15-16(9-11)8-10-5-6-19-13-4-2-1-3-12(10)13/h1-4,7,9-10H,5-6,8H2,(H2,14,17,18)
InChIKeyBVFTZCFSBVYBFD-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.10
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazole-4-sulfonamide

1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 104772593) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazole-4-sulfonamide
PubChem CID104772593
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazole-4-sulfonamide
SMILESNS(=O)(=O)c1cnn(CC2CCOc3ccccc32)c1
InChIInChI=1S/C13H15N3O3S/c14-20(17,18)11-7-15-16(9-11)8-10-5-6-19-13-4-2-1-3-12(10)13/h1-4,7,9-10H,5-6,8H2,(H2,14,17,18)
InChIKeyBVFTZCFSBVYBFD-UHFFFAOYSA-N
XLogP1.10
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-2-amine
CID 104770992
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-iodo-1,2,4-triazole
CID 104772475
1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine
CID 104768448
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
[2-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-yl]methanamine
CID 113451475
3-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220803
N-(3,4-dihydro-2H-chromen-4-yl)-1-ethyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide
CID 46966755
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylpyrazol-4-amine
CID 104768444
4-(1-bromoethyl)-1-(3,4-dihydro-2H-chromen-4-ylmethyl)triazole
CID 104771073
[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine
CID 113451461
4-[(1R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methylamino]ethyl]benzenesulfonamide
CID 97113623

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazole-4-sulfonamide (CID 104772593) is 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazole-4-sulfonamide is NS(=O)(=O)c1cnn(CC2CCOc3ccccc32)c1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is BVFTZCFSBVYBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c14-20(17,18)11-7-15-16(9-11)8-10-5-6-19-13-4-2-1-3-12(10)13/h1-4,7,9-10H,5-6,8H2,(H2,14,17,18).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazole-4-sulfonamide?
1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 104772593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).