N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide

C14H19N3O4S — CID 90623533

IUPACN-[2-methoxy-2-(3-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCOc1cccc(C(CNS(=O)(=O)c2cnn(C)c2)OC)c1
InChIInChI=1S/C14H19N3O4S/c1-17-10-13(8-15-17)22(18,19)16-9-14(21-3)11-5-4-6-12(7-11)20-2/h4-8,10,14,16H,9H2,1-3H3
InChIKeyFHGYDABDPYNYMO-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.09
Rot. Bonds7

About N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide

N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 90623533) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(3-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID90623533
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN-[2-methoxy-2-(3-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCOc1cccc(C(CNS(=O)(=O)c2cnn(C)c2)OC)c1
InChIInChI=1S/C14H19N3O4S/c1-17-10-13(8-15-17)22(18,19)16-9-14(21-3)11-5-4-6-12(7-11)20-2/h4-8,10,14,16H,9H2,1-3H3
InChIKeyFHGYDABDPYNYMO-UHFFFAOYSA-N
XLogP1.09
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methoxy-2-(3-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 90623489
3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 73168543
2,4-dimethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 90623505
2-fluoro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 73168532
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclohexanesulfonamide
CID 90623438
N-(2-chloropropyl)-1-methylpyrazole-4-sulfonamide
CID 65033783
N-[[3-(aminomethyl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 55030523
N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492453
4-bromo-3-methoxy-N-[2-[(1-methylpyrazol-4-yl)sulfonylamino]-1-phenylethyl]-1,2-thiazole-5-carboxamide
CID 167979449
N-[2-[3-[1-amino-3-[3-(trifluoromethyl)phenyl]propan-2-yl]phenoxy]ethyl]-1-methylpyrazole-4-sulfonamide
CID 56836591
[1-(3-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105191715
1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 60945948

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide (CID 90623533) is N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide is COc1cccc(C(CNS(=O)(=O)c2cnn(C)c2)OC)c1.
What is the InChIKey of N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is FHGYDABDPYNYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-17-10-13(8-15-17)22(18,19)16-9-14(21-3)11-5-4-6-12(7-11)20-2/h4-8,10,14,16H,9H2,1-3H3.
What are the key properties of N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide?
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 325.39 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 90623533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).