5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-(2-hydroxyethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide

C20H22ClN3O5S — CID 67100472

IUPAC5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-(2-hydroxyethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)N(C)CCO)cc1-c1ccnn1-c1ccccc1Cl
InChIInChI=1S/C20H22ClN3O5S/c1-23(10-11-25)30(26,27)20-12-14(18(28-2)13-19(20)29-3)16-8-9-22-24(16)17-7-5-4-6-15(17)21/h4-9,12-13,25H,10-11H2,1-3H3
InChIKeyLONLUCPRUAMRHQ-UHFFFAOYSA-N
MW451.93 g/mol
LogP2.82
Rot. Bonds8

About 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-(2-hydroxyethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide

5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-(2-hydroxyethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide (PubChem CID 67100472) has the molecular formula C20H22ClN3O5S and a molecular weight of 451.93 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-(2-hydroxyethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-(2-hydroxyethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide
PubChem CID67100472
Molecular FormulaC20H22ClN3O5S
Molecular Weight451.93 g/mol
Exact Mass451.10
IUPAC Name5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-(2-hydroxyethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)N(C)CCO)cc1-c1ccnn1-c1ccccc1Cl
InChIInChI=1S/C20H22ClN3O5S/c1-23(10-11-25)30(26,27)20-12-14(18(28-2)13-19(20)29-3)16-8-9-22-24(16)17-7-5-4-6-15(17)21/h4-9,12-13,25H,10-11H2,1-3H3
InChIKeyLONLUCPRUAMRHQ-UHFFFAOYSA-N
XLogP2.82
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.93
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dimethoxybenzenesulfonamide
CID 67100868
N-benzyl-5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxy-N-methylbenzenesulfonamide
CID 135424894
2-[[5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dihydroxyphenyl]sulfonyl-methylamino]-N,N-dimethylacetamide
CID 135513035
5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dihydroxybenzenesulfonamide
CID 135475942
2,4-dimethoxy-5-(2-phenylpyrazol-3-yl)benzenesulfonyl chloride
CID 59705148
2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60962314
N-benzyl-2,4-dimethoxy-5-[2-(2-methylphenyl)pyrazol-3-yl]benzenesulfonamide
CID 67101023
1-(2-chlorophenyl)-5-[2,4-dimethoxy-5-[(E)-2-(3-nitrophenyl)ethenyl]phenyl]pyrazole
CID 67101382
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 15590963
N-[3-[2-[5-[2-(2-chlorophenyl)pyrazol-3-yl]-2,4-dimethoxyphenyl]ethyl]phenyl]-2,2,2-trifluoroacetamide
CID 87269218
5-chloro-N-[2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methoxy-N-methylbenzenesulfonamide
CID 53055879
N-(2-hydroxyethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide
CID 15590967

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-(2-hydroxyethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide?
The IUPAC name of 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-(2-hydroxyethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide (CID 67100472) is 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-(2-hydroxyethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-(2-hydroxyethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-(2-hydroxyethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide is COc1cc(OC)c(S(=O)(=O)N(C)CCO)cc1-c1ccnn1-c1ccccc1Cl.
What is the InChIKey of 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-(2-hydroxyethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide?
The InChIKey is LONLUCPRUAMRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O5S/c1-23(10-11-25)30(26,27)20-12-14(18(28-2)13-19(20)29-3)16-8-9-22-24(16)17-7-5-4-6-15(17)21/h4-9,12-13,25H,10-11H2,1-3H3.
What are the key properties of 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-(2-hydroxyethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide?
5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-(2-hydroxyethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide has a molecular weight of 451.93 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)pyrazol-3-yl]-N-(2-hydroxyethyl)-2,4-dimethoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 67100472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).