N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-sulfonamide

C14H18ClN3O3S — CID 71997139

IUPACN-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(OC)c2cccc(Cl)c2)cn1
InChIInChI=1S/C14H18ClN3O3S/c1-3-18-10-13(8-16-18)22(19,20)17-9-14(21-2)11-5-4-6-12(15)7-11/h4-8,10,14,17H,3,9H2,1-2H3
InChIKeyGFWHHSXCYZJOBT-UHFFFAOYSA-N
MW343.84 g/mol
LogP2.22
Rot. Bonds7

About N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-sulfonamide

N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-sulfonamide (PubChem CID 71997139) has the molecular formula C14H18ClN3O3S and a molecular weight of 343.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-sulfonamide
PubChem CID71997139
Molecular FormulaC14H18ClN3O3S
Molecular Weight343.84 g/mol
Exact Mass343.08
IUPAC NameN-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(OC)c2cccc(Cl)c2)cn1
InChIInChI=1S/C14H18ClN3O3S/c1-3-18-10-13(8-16-18)22(19,20)17-9-14(21-2)11-5-4-6-12(15)7-11/h4-8,10,14,17H,3,9H2,1-2H3
InChIKeyGFWHHSXCYZJOBT-UHFFFAOYSA-N
XLogP2.22
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-sulfonamide (CID 71997139) is N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC(OC)c2cccc(Cl)c2)cn1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-sulfonamide?
The InChIKey is GFWHHSXCYZJOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3S/c1-3-18-10-13(8-16-18)22(19,20)17-9-14(21-2)11-5-4-6-12(15)7-11/h4-8,10,14,17H,3,9H2,1-2H3.
What are the key properties of N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-sulfonamide?
N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-sulfonamide has a molecular weight of 343.84 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71997139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).