N-[4-(benzenesulfonamido)-2-methylphenyl]-2,2-dimethylpropanamide

C18H22N2O3S — CID 134878844

IUPACN-[4-(benzenesulfonamido)-2-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2)ccc1NC(=O)C(C)(C)C
InChIInChI=1S/C18H22N2O3S/c1-13-12-14(10-11-16(13)19-17(21)18(2,3)4)20-24(22,23)15-8-6-5-7-9-15/h5-12,20H,1-4H3,(H,19,21)
InChIKeyBQOAGJWCFWRUHY-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.78
Rot. Bonds4

About N-[4-(benzenesulfonamido)-2-methylphenyl]-2,2-dimethylpropanamide

N-[4-(benzenesulfonamido)-2-methylphenyl]-2,2-dimethylpropanamide (PubChem CID 134878844) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[4-(benzenesulfonamido)-2-methylphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonamido)-2-methylphenyl]-2,2-dimethylpropanamide
PubChem CID134878844
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[4-(benzenesulfonamido)-2-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2)ccc1NC(=O)C(C)(C)C
InChIInChI=1S/C18H22N2O3S/c1-13-12-14(10-11-16(13)19-17(21)18(2,3)4)20-24(22,23)15-8-6-5-7-9-15/h5-12,20H,1-4H3,(H,19,21)
InChIKeyBQOAGJWCFWRUHY-UHFFFAOYSA-N
XLogP3.78
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(benzenesulfonamido)-2-chlorophenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287185
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 4927444
N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 1026291
4-(benzenesulfonamido)-2-methylbenzenesulfonamide
CID 43246869
N-[2-[5-(benzenesulfonamido)-2-methylanilino]-2-oxoethyl]-methylboronamidic acid
CID 21364805
3-(benzenesulfonamido)-N-(2-methylphenyl)benzamide
CID 9341944
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide
CID 23100322
2,2-dimethyl-N-[4-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060679
N-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 55538744
4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 19062739
N-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)benzamide
CID 51545693
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonamido)-2-methylphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(benzenesulfonamido)-2-methylphenyl]-2,2-dimethylpropanamide (CID 134878844) is N-[4-(benzenesulfonamido)-2-methylphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(benzenesulfonamido)-2-methylphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(benzenesulfonamido)-2-methylphenyl]-2,2-dimethylpropanamide is Cc1cc(NS(=O)(=O)c2ccccc2)ccc1NC(=O)C(C)(C)C.
What is the InChIKey of N-[4-(benzenesulfonamido)-2-methylphenyl]-2,2-dimethylpropanamide?
The InChIKey is BQOAGJWCFWRUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-12-14(10-11-16(13)19-17(21)18(2,3)4)20-24(22,23)15-8-6-5-7-9-15/h5-12,20H,1-4H3,(H,19,21).
What are the key properties of N-[4-(benzenesulfonamido)-2-methylphenyl]-2,2-dimethylpropanamide?
N-[4-(benzenesulfonamido)-2-methylphenyl]-2,2-dimethylpropanamide has a molecular weight of 346.45 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonamido)-2-methylphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 134878844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).