4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide

C18H23NO3S — CID 100550950

IUPAC4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H](C)c2ccccc2)c(C)c1C
InChIInChI=1S/C18H23NO3S/c1-13(16-8-6-5-7-9-16)12-19-23(20,21)18-11-10-17(22-4)14(2)15(18)3/h5-11,13,19H,12H2,1-4H3/t13-/m0/s1
InChIKeyBBSJHQNMAYFJIG-ZDUSSCGKSA-N
MW333.45 g/mol
LogP3.39
Rot. Bonds6

About 4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide

4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide (PubChem CID 100550950) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide
PubChem CID100550950
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H](C)c2ccccc2)c(C)c1C
InChIInChI=1S/C18H23NO3S/c1-13(16-8-6-5-7-9-16)12-19-23(20,21)18-11-10-17(22-4)14(2)15(18)3/h5-11,13,19H,12H2,1-4H3/t13-/m0/s1
InChIKeyBBSJHQNMAYFJIG-ZDUSSCGKSA-N
XLogP3.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100668632
5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 100551051
3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide
CID 32945181
3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 37498470
N-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide
CID 78873411
4-methoxy-2,3-dimethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
CID 100553033
4-methoxy-2,3-dimethyl-N-[(R)-(2-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 100587778
2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)-N-(2-phenylpropyl)benzenesulfonamide
CID 53094821
N-[2-(dimethylamino)ethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 95969876
N-[(2,4-dimethylphenyl)-phenylmethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 133161577
N-(2-phenylpropyl)methanesulfonamide
CID 47121755
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide (CID 100550950) is 4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC[C@H](C)c2ccccc2)c(C)c1C.
What is the InChIKey of 4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide?
The InChIKey is BBSJHQNMAYFJIG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-13(16-8-6-5-7-9-16)12-19-23(20,21)18-11-10-17(22-4)14(2)15(18)3/h5-11,13,19H,12H2,1-4H3/t13-/m0/s1.
What are the key properties of 4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide?
4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide is sourced from PubChem (CID 100550950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).