N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide

C19H23NO4S — CID 71788810

IUPACN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(O)(c2ccccc2)C2CC2)c(C)c1
InChIInChI=1S/C19H23NO4S/c1-14-12-17(24-2)10-11-18(14)25(22,23)20-13-19(21,16-8-9-16)15-6-4-3-5-7-15/h3-7,10-12,16,20-21H,8-9,13H2,1-2H3
InChIKeyDLIBIVKXQVQAHK-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.58
Rot. Bonds7

About N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide

N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 71788810) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide
PubChem CID71788810
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(O)(c2ccccc2)C2CC2)c(C)c1
InChIInChI=1S/C19H23NO4S/c1-14-12-17(24-2)10-11-18(14)25(22,23)20-13-19(21,16-8-9-16)15-6-4-3-5-7-15/h3-7,10-12,16,20-21H,8-9,13H2,1-2H3
InChIKeyDLIBIVKXQVQAHK-UHFFFAOYSA-N
XLogP2.58
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 95982759
4-methoxy-2-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 95376544
2-bromo-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 95379538
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide
CID 71788798
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-methylbenzenesulfonamide
CID 71788797
N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-methylbenzenesulfonamide
CID 95379479
3-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxybenzenesulfonamide
CID 90535542
2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 90535544
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-propoxybenzenesulfonamide
CID 90535535
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-sulfonamide
CID 90535526
N-[(2S)-2-hydroxy-2-phenylpropyl]-2,4-dimethylbenzenesulfonamide
CID 95368044
4-acetyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 71788808

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide (CID 71788810) is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(O)(c2ccccc2)C2CC2)c(C)c1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is DLIBIVKXQVQAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-14-12-17(24-2)10-11-18(14)25(22,23)20-13-19(21,16-8-9-16)15-6-4-3-5-7-15/h3-7,10-12,16,20-21H,8-9,13H2,1-2H3.
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide?
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 361.46 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 71788810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).