4-methoxy-3-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide

C17H21NO3S — CID 113091766

IUPAC4-methoxy-3-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)c2ccccc2)cc1C
InChIInChI=1S/C17H21NO3S/c1-13-12-15(10-11-16(13)21-4)22(19,20)18-17(2,3)14-8-6-5-7-9-14/h5-12,18H,1-4H3
InChIKeyXMRBPWPWWOEGHS-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.22
Rot. Bonds5

About 4-methoxy-3-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide

4-methoxy-3-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide (PubChem CID 113091766) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide
PubChem CID113091766
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name4-methoxy-3-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)(C)c2ccccc2)cc1C
InChIInChI=1S/C17H21NO3S/c1-13-12-15(10-11-16(13)21-4)22(19,20)18-17(2,3)14-8-6-5-7-9-14/h5-12,18H,1-4H3
InChIKeyXMRBPWPWWOEGHS-UHFFFAOYSA-N
XLogP3.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-methoxy-N-(2-phenylpropan-2-yl)benzenesulfonamide
CID 113091776
N-[(2R)-2-hydroxy-2-phenylpropyl]-4-methoxy-3-methylbenzenesulfonamide
CID 95368051
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-methylpropanoic acid
CID 61262298
4-methoxy-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 37478612
3,4-dichloro-N-(2-phenylpropan-2-yl)benzenesulfonamide
CID 113091765
4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 75493365
N-(1-hydroxy-3-methylpentan-3-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 106169800
N-(1-amino-2-cyclopropylpropan-2-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 115307984
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
N-tert-butyl-3,4-dimethoxybenzenesulfonamide
CID 795187
3-chloro-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]benzenesulfonamide
CID 113091569
4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 43908516

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide (CID 113091766) is 4-methoxy-3-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)(C)c2ccccc2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide?
The InChIKey is XMRBPWPWWOEGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-13-12-15(10-11-16(13)21-4)22(19,20)18-17(2,3)14-8-6-5-7-9-14/h5-12,18H,1-4H3.
What are the key properties of 4-methoxy-3-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide?
4-methoxy-3-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(2-phenylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 113091766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).