N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-ethyl-3-methylpyrazole-4-sulfonamide

C16H21N3O3S — CID 72843145

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC2COc3ccccc3C2)c(C)n1
InChIInChI=1S/C16H21N3O3S/c1-3-19-10-16(12(2)18-19)23(20,21)17-9-13-8-14-6-4-5-7-15(14)22-11-13/h4-7,10,13,17H,3,8-9,11H2,1-2H3
InChIKeyCJBBTWIHEXARQX-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.74
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-ethyl-3-methylpyrazole-4-sulfonamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-ethyl-3-methylpyrazole-4-sulfonamide (PubChem CID 72843145) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-ethyl-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
PubChem CID72843145
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-ethyl-3-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC2COc3ccccc3C2)c(C)n1
InChIInChI=1S/C16H21N3O3S/c1-3-19-10-16(12(2)18-19)23(20,21)17-9-13-8-14-6-4-5-7-15(14)22-11-13/h4-7,10,13,17H,3,8-9,11H2,1-2H3
InChIKeyCJBBTWIHEXARQX-UHFFFAOYSA-N
XLogP1.74
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-ethyl-3-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-ethyl-3-methylpyrazole-4-sulfonamide (CID 72843145) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-ethyl-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-ethyl-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-ethyl-3-methylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC2COc3ccccc3C2)c(C)n1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-ethyl-3-methylpyrazole-4-sulfonamide?
The InChIKey is CJBBTWIHEXARQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-3-19-10-16(12(2)18-19)23(20,21)17-9-13-8-14-6-4-5-7-15(14)22-11-13/h4-7,10,13,17H,3,8-9,11H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-ethyl-3-methylpyrazole-4-sulfonamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-ethyl-3-methylpyrazole-4-sulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-ethyl-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 72843145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).