4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide

C17H21NO3S — CID 112822925

IUPAC4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NC(C)c2ccccc2)cc1C
InChIInChI=1S/C17H21NO3S/c1-12-10-16(11-13(2)17(12)21-4)22(19,20)18-14(3)15-8-6-5-7-9-15/h5-11,14,18H,1-4H3
InChIKeyDFLLTPRSMSETBC-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.35
Rot. Bonds5

About 4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide

4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 112822925) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide
PubChem CID112822925
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCOc1c(C)cc(S(=O)(=O)NC(C)c2ccccc2)cc1C
InChIInChI=1S/C17H21NO3S/c1-12-10-16(11-13(2)17(12)21-4)22(19,20)18-14(3)15-8-6-5-7-9-15/h5-11,14,18H,1-4H3
InChIKeyDFLLTPRSMSETBC-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 2423667
4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 42998950
2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 40921810
3,4-dichloro-2-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 34959830
4-ethoxy-3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 7377815
4-methoxy-3,5-dimethyl-N-(1-phenylethyl)aniline
CID 135065193
4-methyl-3-nitro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 7322854
3-iodo-4-methoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 1294098
3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 43111821

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide (CID 112822925) is 4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide is COc1c(C)cc(S(=O)(=O)NC(C)c2ccccc2)cc1C.
What is the InChIKey of 4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is DFLLTPRSMSETBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-12-10-16(11-13(2)17(12)21-4)22(19,20)18-14(3)15-8-6-5-7-9-15/h5-11,14,18H,1-4H3.
What are the key properties of 4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide?
4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 112822925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).