N-(3,4-dimethoxyphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

C19H21N3O4S — CID 45106866

IUPACN-(3,4-dimethoxyphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(-c3cc(C)[nH]n3)ccc2C)cc1OC
InChIInChI=1S/C19H21N3O4S/c1-12-5-6-14(16-9-13(2)20-21-16)10-19(12)27(23,24)22-15-7-8-17(25-3)18(11-15)26-4/h5-11,22H,1-4H3,(H,20,21)
InChIKeyCXXODBUXOBNGPY-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.51
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

N-(3,4-dimethoxyphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 45106866) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID45106866
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-(3,4-dimethoxyphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(-c3cc(C)[nH]n3)ccc2C)cc1OC
InChIInChI=1S/C19H21N3O4S/c1-12-5-6-14(16-9-13(2)20-21-16)10-19(12)27(23,24)22-15-7-8-17(25-3)18(11-15)26-4/h5-11,22H,1-4H3,(H,20,21)
InChIKeyCXXODBUXOBNGPY-UHFFFAOYSA-N
XLogP3.51
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(2-methylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 46329426
N-(3-chloro-4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974263
4-fluoro-2-methyl-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide
CID 110732621
N-(3,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947510
N-(4-ethylphenyl)-2-methoxy-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 53054071
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 82859179
N-(3,4-dimethoxyphenyl)-2-methyl-5-(1H-pyrazol-5-yl)furan-3-sulfonamide
CID 53163395
N-(3-chloro-4-methylphenyl)-2-methoxy-5-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzenesulfonamide
CID 50763944
4-chloro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide
CID 110732614
methyl 3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]-4-methylbenzoate
CID 55624593
N-(3-chloro-4-methylphenyl)-2-methoxy-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
CID 46396248

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 45106866) is N-(3,4-dimethoxyphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(-c3cc(C)[nH]n3)ccc2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is CXXODBUXOBNGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-12-5-6-14(16-9-13(2)20-21-16)10-19(12)27(23,24)22-15-7-8-17(25-3)18(11-15)26-4/h5-11,22H,1-4H3,(H,20,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
N-(3,4-dimethoxyphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 387.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 45106866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).