N-benzyl-2,4-dimethoxy-5-[2-(2-methylphenyl)pyrazol-3-yl]benzenesulfonamide

C25H25N3O4S — CID 67101023

IUPACN-benzyl-2,4-dimethoxy-5-[2-(2-methylphenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)NCc2ccccc2)cc1-c1ccnn1-c1ccccc1C
InChIInChI=1S/C25H25N3O4S/c1-18-9-7-8-12-21(18)28-22(13-14-26-28)20-15-25(24(32-3)16-23(20)31-2)33(29,30)27-17-19-10-5-4-6-11-19/h4-16,27H,17H2,1-3H3
InChIKeyIZNWHGXUBUSIDS-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.34
Rot. Bonds8

About N-benzyl-2,4-dimethoxy-5-[2-(2-methylphenyl)pyrazol-3-yl]benzenesulfonamide

N-benzyl-2,4-dimethoxy-5-[2-(2-methylphenyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 67101023) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-benzyl-2,4-dimethoxy-5-[2-(2-methylphenyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2,4-dimethoxy-5-[2-(2-methylphenyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID67101023
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC NameN-benzyl-2,4-dimethoxy-5-[2-(2-methylphenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)NCc2ccccc2)cc1-c1ccnn1-c1ccccc1C
InChIInChI=1S/C25H25N3O4S/c1-18-9-7-8-12-21(18)28-22(13-14-26-28)20-15-25(24(32-3)16-23(20)31-2)33(29,30)27-17-19-10-5-4-6-11-19/h4-16,27H,17H2,1-3H3
InChIKeyIZNWHGXUBUSIDS-UHFFFAOYSA-N
XLogP4.34
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethoxy-5-(2-phenylpyrazol-3-yl)benzenesulfonyl chloride
CID 59705148
N-benzyl-2-methoxy-4-methylbenzenesulfonamide
CID 801458
5-[2-(2-chlorophenyl)pyrazol-3-yl]-N,N-diethyl-2,4-dimethoxybenzenesulfonamide
CID 67100868
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868
N-benzyl-5-iodo-2-methoxybenzenesulfonamide
CID 1325962
3-(benzylsulfamoyl)-4-methoxybenzoic acid
CID 693909
N-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide
CID 15943814
N-[6-(benzylamino)pyridazin-3-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113040841
5-amino-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 79961726
5-chloro-2-methoxy-4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110757909

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-dimethoxy-5-[2-(2-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-benzyl-2,4-dimethoxy-5-[2-(2-methylphenyl)pyrazol-3-yl]benzenesulfonamide (CID 67101023) is N-benzyl-2,4-dimethoxy-5-[2-(2-methylphenyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-2,4-dimethoxy-5-[2-(2-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-benzyl-2,4-dimethoxy-5-[2-(2-methylphenyl)pyrazol-3-yl]benzenesulfonamide is COc1cc(OC)c(S(=O)(=O)NCc2ccccc2)cc1-c1ccnn1-c1ccccc1C.
What is the InChIKey of N-benzyl-2,4-dimethoxy-5-[2-(2-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is IZNWHGXUBUSIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-18-9-7-8-12-21(18)28-22(13-14-26-28)20-15-25(24(32-3)16-23(20)31-2)33(29,30)27-17-19-10-5-4-6-11-19/h4-16,27H,17H2,1-3H3.
What are the key properties of N-benzyl-2,4-dimethoxy-5-[2-(2-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
N-benzyl-2,4-dimethoxy-5-[2-(2-methylphenyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 463.56 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-dimethoxy-5-[2-(2-methylphenyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67101023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).