N-(3,4-dihydro-2H-chromen-4-yl)-1-ethyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide

C18H25N3O4S — CID 46966755

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-1-ethyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CCCOC)C2CCOc3ccccc32)cn1
InChIInChI=1S/C18H25N3O4S/c1-3-20-14-15(13-19-20)26(22,23)21(10-6-11-24-2)17-9-12-25-18-8-5-4-7-16(17)18/h4-5,7-8,13-14,17H,3,6,9-12H2,1-2H3
InChIKeySRHJCCYPGLPNJQ-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.45
Rot. Bonds8

About N-(3,4-dihydro-2H-chromen-4-yl)-1-ethyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide

N-(3,4-dihydro-2H-chromen-4-yl)-1-ethyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide (PubChem CID 46966755) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-1-ethyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-1-ethyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide
PubChem CID46966755
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-1-ethyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(CCCOC)C2CCOc3ccccc32)cn1
InChIInChI=1S/C18H25N3O4S/c1-3-20-14-15(13-19-20)26(22,23)21(10-6-11-24-2)17-9-12-25-18-8-5-4-7-16(17)18/h4-5,7-8,13-14,17H,3,6,9-12H2,1-2H3
InChIKeySRHJCCYPGLPNJQ-UHFFFAOYSA-N
XLogP2.45
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-1-ethyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-1-ethyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide (CID 46966755) is N-(3,4-dihydro-2H-chromen-4-yl)-1-ethyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-1-ethyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-1-ethyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(CCCOC)C2CCOc3ccccc32)cn1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-1-ethyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide?
The InChIKey is SRHJCCYPGLPNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-3-20-14-15(13-19-20)26(22,23)21(10-6-11-24-2)17-9-12-25-18-8-5-4-7-16(17)18/h4-5,7-8,13-14,17H,3,6,9-12H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-1-ethyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide?
N-(3,4-dihydro-2H-chromen-4-yl)-1-ethyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide has a molecular weight of 379.48 g/mol, XLogP of 2.45, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-1-ethyl-N-(3-methoxypropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 46966755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).