4-acetyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide

C19H21NO4S — CID 71788808

IUPAC4-acetyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(O)(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C19H21NO4S/c1-14(21)15-7-11-18(12-8-15)25(23,24)20-13-19(22,17-9-10-17)16-5-3-2-4-6-16/h2-8,11-12,17,20,22H,9-10,13H2,1H3
InChIKeyPROIXPQRSXYWIA-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.47
Rot. Bonds7

About 4-acetyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide

4-acetyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide (PubChem CID 71788808) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-acetyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
PubChem CID71788808
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name4-acetyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(O)(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C19H21NO4S/c1-14(21)15-7-11-18(12-8-15)25(23,24)20-13-19(22,17-9-10-17)16-5-3-2-4-6-16/h2-8,11-12,17,20,22H,9-10,13H2,1H3
InChIKeyPROIXPQRSXYWIA-UHFFFAOYSA-N
XLogP2.47
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-propoxybenzenesulfonamide
CID 90535535
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-sulfonamide
CID 90535526
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-methylbenzenesulfonamide
CID 71788797
N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-methylbenzenesulfonamide
CID 95379479
N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 95379516
3-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxybenzenesulfonamide
CID 90535542
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide
CID 71788798
2-bromo-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 95379538
N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-(dimethylsulfamoyl)benzamide
CID 95379451
N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide
CID 90499346
2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 90535544
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 71788810

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide (CID 71788808) is 4-acetyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCC(O)(c2ccccc2)C2CC2)cc1.
What is the InChIKey of 4-acetyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide?
The InChIKey is PROIXPQRSXYWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-14(21)15-7-11-18(12-8-15)25(23,24)20-13-19(22,17-9-10-17)16-5-3-2-4-6-16/h2-8,11-12,17,20,22H,9-10,13H2,1H3.
What are the key properties of 4-acetyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide?
4-acetyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide has a molecular weight of 359.45 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 71788808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).