4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-5-sulfonamide

C10H15ClN4O3S — CID 106150631

IUPAC4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-5-sulfonamide
SMILESCOCCN(CCC#N)S(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C10H15ClN4O3S/c1-14-10(9(11)8-13-14)19(16,17)15(5-3-4-12)6-7-18-2/h8H,3,5-7H2,1-2H3
InChIKeyMZLNOZWWFNIIEY-UHFFFAOYSA-N
MW306.78 g/mol
LogP0.62
Rot. Bonds7

About 4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-5-sulfonamide

4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-5-sulfonamide (PubChem CID 106150631) has the molecular formula C10H15ClN4O3S and a molecular weight of 306.78 g/mol. Its IUPAC name is 4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-5-sulfonamide
PubChem CID106150631
Molecular FormulaC10H15ClN4O3S
Molecular Weight306.78 g/mol
Exact Mass306.06
IUPAC Name4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-5-sulfonamide
SMILESCOCCN(CCC#N)S(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C10H15ClN4O3S/c1-14-10(9(11)8-13-14)19(16,17)15(5-3-4-12)6-7-18-2/h8H,3,5-7H2,1-2H3
InChIKeyMZLNOZWWFNIIEY-UHFFFAOYSA-N
XLogP0.62
TPSA88.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromoethyl)-4-chloro-N-ethyl-1-methylpyrazole-5-sulfonamide
CID 106316010
5-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide
CID 103099958
N-(2-cyanoethyl)-N-(2-methoxyethyl)ethanesulfonamide
CID 63286781
4-chloro-N-(4-cyanobutyl)-1-methylpyrazole-5-sulfonamide
CID 106150633
N-(3-bromopropyl)-4-chloro-1-methyl-N-propan-2-ylpyrazole-5-sulfonamide
CID 114172595
4-chloro-N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-5-sulfonamide
CID 114172502
5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,3-dimethylbenzenesulfonamide
CID 63287106
3-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide
CID 63287518
4-bromo-N-(2-cyanoethyl)-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 103697572
5-amino-2-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 65206601
3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63285895
N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 55173259

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-5-sulfonamide (CID 106150631) is 4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-5-sulfonamide is COCCN(CCC#N)S(=O)(=O)c1c(Cl)cnn1C.
What is the InChIKey of 4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-5-sulfonamide?
The InChIKey is MZLNOZWWFNIIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O3S/c1-14-10(9(11)8-13-14)19(16,17)15(5-3-4-12)6-7-18-2/h8H,3,5-7H2,1-2H3.
What are the key properties of 4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-5-sulfonamide?
4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-5-sulfonamide has a molecular weight of 306.78 g/mol, XLogP of 0.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106150631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).