N-(3-benzoyl-5-methyl-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide

C22H22N2O4S — CID 70834325

IUPACN-(3-benzoyl-5-methyl-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(OC(C)C)cc2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C22H22N2O4S/c1-15(2)28-18-9-11-19(12-10-18)29(26,27)24-22-20(13-16(3)14-23-22)21(25)17-7-5-4-6-8-17/h4-15H,1-3H3,(H,23,24)
InChIKeyZNNHHNBXOMJAID-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.21
Rot. Bonds7

About N-(3-benzoyl-5-methyl-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide

N-(3-benzoyl-5-methyl-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide (PubChem CID 70834325) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(3-benzoyl-5-methyl-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-benzoyl-5-methyl-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide
PubChem CID70834325
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-(3-benzoyl-5-methyl-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(OC(C)C)cc2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C22H22N2O4S/c1-15(2)28-18-9-11-19(12-10-18)29(26,27)24-22-20(13-16(3)14-23-22)21(25)17-7-5-4-6-8-17/h4-15H,1-3H3,(H,23,24)
InChIKeyZNNHHNBXOMJAID-UHFFFAOYSA-N
XLogP4.21
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-benzoyl-3-pyridinyl)-4-propan-2-yloxybenzenesulfonamide
CID 46833310
N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 10073118
N-(2-methyl-4-propan-2-yloxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 55945032
N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide
CID 10093130
N-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide
CID 113093731
methyl 2-[(4-propan-2-yloxyphenyl)sulfonylamino]benzoate
CID 110756559
4-propan-2-yloxy-N-quinolin-3-ylbenzenesulfonamide
CID 110730295
N-(5-methyl-2H-triazol-4-yl)-4-propan-2-yloxybenzenesulfonamide
CID 126828292
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-4-propan-2-yloxybenzamide
CID 4951888
2-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzoic acid
CID 51113766
(2R)-N-methyl-2-[4-(phenylsulfamoyl)phenoxy]propanamide
CID 92513136
4-ethoxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 160579287

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoyl-5-methyl-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-(3-benzoyl-5-methyl-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide (CID 70834325) is N-(3-benzoyl-5-methyl-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-(3-benzoyl-5-methyl-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-(3-benzoyl-5-methyl-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide is Cc1cnc(NS(=O)(=O)c2ccc(OC(C)C)cc2)c(C(=O)c2ccccc2)c1.
What is the InChIKey of N-(3-benzoyl-5-methyl-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is ZNNHHNBXOMJAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-15(2)28-18-9-11-19(12-10-18)29(26,27)24-22-20(13-16(3)14-23-22)21(25)17-7-5-4-6-8-17/h4-15H,1-3H3,(H,23,24).
What are the key properties of N-(3-benzoyl-5-methyl-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide?
N-(3-benzoyl-5-methyl-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 410.50 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoyl-5-methyl-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 70834325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).