N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,4-diethoxybenzenesulfonamide

C23H29N3O4S — CID 55905205

IUPACN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)cc1OCC
InChIInChI=1S/C23H29N3O4S/c1-5-29-22-12-11-21(16-23(22)30-6-2)31(27,28)24-14-13-19-7-9-20(10-8-19)26-18(4)15-17(3)25-26/h7-12,15-16,24H,5-6,13-14H2,1-4H3
InChIKeyRRKRERIDLKKLHV-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.81
Rot. Bonds10

About N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,4-diethoxybenzenesulfonamide

N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,4-diethoxybenzenesulfonamide (PubChem CID 55905205) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,4-diethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,4-diethoxybenzenesulfonamide
PubChem CID55905205
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)cc1OCC
InChIInChI=1S/C23H29N3O4S/c1-5-29-22-12-11-21(16-23(22)30-6-2)31(27,28)24-14-13-19-7-9-20(10-8-19)26-18(4)15-17(3)25-26/h7-12,15-16,24H,5-6,13-14H2,1-4H3
InChIKeyRRKRERIDLKKLHV-UHFFFAOYSA-N
XLogP3.81
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propane-1-sulfonamide
CID 47071864
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 55707293
4-ethoxy-3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzenesulfonamide
CID 16890546
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 55905718
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 55353251
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 55906754
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 122290271
1-(3,4-dichlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]methanesulfonamide
CID 56581950
N-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179
4-ethoxy-3-fluoro-N-[2-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
CID 16890649
N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 110788857
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 30126245

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,4-diethoxybenzenesulfonamide?
The IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,4-diethoxybenzenesulfonamide (CID 55905205) is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,4-diethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,4-diethoxybenzenesulfonamide?
The canonical SMILES for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,4-diethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)cc1OCC.
What is the InChIKey of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,4-diethoxybenzenesulfonamide?
The InChIKey is RRKRERIDLKKLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-5-29-22-12-11-21(16-23(22)30-6-2)31(27,28)24-14-13-19-7-9-20(10-8-19)26-18(4)15-17(3)25-26/h7-12,15-16,24H,5-6,13-14H2,1-4H3.
What are the key properties of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,4-diethoxybenzenesulfonamide?
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,4-diethoxybenzenesulfonamide has a molecular weight of 443.57 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,4-diethoxybenzenesulfonamide is sourced from PubChem (CID 55905205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).