5-chloro-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methoxybenzenesulfonamide

C15H20ClN3O3S — CID 131934877

IUPAC5-chloro-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methoxybenzenesulfonamide
SMILESCCN(Cc1cnn(CC)c1)S(=O)(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H20ClN3O3S/c1-4-18-10-12(9-17-18)11-19(5-2)23(20,21)15-8-13(16)6-7-14(15)22-3/h6-10H,4-5,11H2,1-3H3
InChIKeyULSSGTKVHVDAQR-UHFFFAOYSA-N
MW357.86 g/mol
LogP2.78
Rot. Bonds7

About 5-chloro-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methoxybenzenesulfonamide

5-chloro-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methoxybenzenesulfonamide (PubChem CID 131934877) has the molecular formula C15H20ClN3O3S and a molecular weight of 357.86 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methoxybenzenesulfonamide
PubChem CID131934877
Molecular FormulaC15H20ClN3O3S
Molecular Weight357.86 g/mol
Exact Mass357.09
IUPAC Name5-chloro-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methoxybenzenesulfonamide
SMILESCCN(Cc1cnn(CC)c1)S(=O)(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H20ClN3O3S/c1-4-18-10-12(9-17-18)11-19(5-2)23(20,21)15-8-13(16)6-7-14(15)22-3/h6-10H,4-5,11H2,1-3H3
InChIKeyULSSGTKVHVDAQR-UHFFFAOYSA-N
XLogP2.78
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide
CID 1339272
N-[3-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]-4-methoxyphenyl]acetamide
CID 47813010
N-[(1-ethylpyrazol-4-yl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 77085890
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-fluorobenzenesulfonamide
CID 8801326
4-chloro-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 47813014
1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
CID 35276225
1-(4-chloro-2-methoxyphenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822270
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 8801231
5-chloro-2-[(1-ethylpyrazol-4-yl)methylsulfonyl]aniline
CID 81176090
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1-ethylpyrazol-4-yl)acetamide
CID 99788498
(4-chlorophenyl) 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 1322449
1-[(2,4-dichlorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278577

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methoxybenzenesulfonamide (CID 131934877) is 5-chloro-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methoxybenzenesulfonamide is CCN(Cc1cnn(CC)c1)S(=O)(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 5-chloro-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methoxybenzenesulfonamide?
The InChIKey is ULSSGTKVHVDAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3S/c1-4-18-10-12(9-17-18)11-19(5-2)23(20,21)15-8-13(16)6-7-14(15)22-3/h6-10H,4-5,11H2,1-3H3.
What are the key properties of 5-chloro-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methoxybenzenesulfonamide?
5-chloro-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methoxybenzenesulfonamide has a molecular weight of 357.86 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 131934877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).