1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide

C15H21N3O3S — CID 6464788

IUPAC1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)NC(C)c2cccc(OC)c2)c1C
InChIInChI=1S/C15H21N3O3S/c1-5-18-12(3)15(10-16-18)22(19,20)17-11(2)13-7-6-8-14(9-13)21-4/h6-11,17H,5H2,1-4H3
InChIKeyGYAXGSXMDSGUMI-UHFFFAOYSA-N
MW323.42 g/mol
LogP2.26
Rot. Bonds6

About 1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide

1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide (PubChem CID 6464788) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide
PubChem CID6464788
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)NC(C)c2cccc(OC)c2)c1C
InChIInChI=1S/C15H21N3O3S/c1-5-18-12(3)15(10-16-18)22(19,20)17-11(2)13-7-6-8-14(9-13)21-4/h6-11,17H,5H2,1-4H3
InChIKeyGYAXGSXMDSGUMI-UHFFFAOYSA-N
XLogP2.26
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19584255
N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 45368198
N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
CID 74229134
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22209016
N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
CID 3805772
4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201289
N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide
CID 22201304
N-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
CID 3716853
1-bromo-N-[1-(3-methoxyphenyl)ethyl]methanesulfonamide
CID 83086763
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3870405
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 74229543
8-ethoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoline-5-sulfonamide
CID 25039412

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide (CID 6464788) is 1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)NC(C)c2cccc(OC)c2)c1C.
What is the InChIKey of 1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide?
The InChIKey is GYAXGSXMDSGUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-5-18-12(3)15(10-16-18)22(19,20)17-11(2)13-7-6-8-14(9-13)21-4/h6-11,17H,5H2,1-4H3.
What are the key properties of 1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide?
1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 6464788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).