N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide

C15H19N3O5S — CID 126805654

IUPACN-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide
SMILESCOCCn1cc(S(=O)(=O)Nc2cccc3c2OCCC3O)cn1
InChIInChI=1S/C15H19N3O5S/c1-22-8-6-18-10-11(9-16-18)24(20,21)17-13-4-2-3-12-14(19)5-7-23-15(12)13/h2-4,9-10,14,17,19H,5-8H2,1H3
InChIKeyCCKBWKVHGBKZII-UHFFFAOYSA-N
MW353.40 g/mol
LogP1.15
Rot. Bonds6

About N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide

N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide (PubChem CID 126805654) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide
PubChem CID126805654
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC NameN-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide
SMILESCOCCn1cc(S(=O)(=O)Nc2cccc3c2OCCC3O)cn1
InChIInChI=1S/C15H19N3O5S/c1-22-8-6-18-10-11(9-16-18)24(20,21)17-13-4-2-3-12-14(19)5-7-23-15(12)13/h2-4,9-10,14,17,19H,5-8H2,1H3
InChIKeyCCKBWKVHGBKZII-UHFFFAOYSA-N
XLogP1.15
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide (CID 126805654) is N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide is COCCn1cc(S(=O)(=O)Nc2cccc3c2OCCC3O)cn1.
What is the InChIKey of N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide?
The InChIKey is CCKBWKVHGBKZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S/c1-22-8-6-18-10-11(9-16-18)24(20,21)17-13-4-2-3-12-14(19)5-7-23-15(12)13/h2-4,9-10,14,17,19H,5-8H2,1H3.
What are the key properties of N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide?
N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide has a molecular weight of 353.40 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3,4-dihydro-2H-chromen-8-yl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 126805654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).