N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-propoxybenzenesulfonamide

C20H25NO4S — CID 90535535

IUPACN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCC(O)(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C20H25NO4S/c1-2-14-25-18-10-12-19(13-11-18)26(23,24)21-15-20(22,17-8-9-17)16-6-4-3-5-7-16/h3-7,10-13,17,21-22H,2,8-9,14-15H2,1H3
InChIKeyCWGKPFOMUGGBOM-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.05
Rot. Bonds9

About N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-propoxybenzenesulfonamide

N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-propoxybenzenesulfonamide (PubChem CID 90535535) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-propoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-propoxybenzenesulfonamide
PubChem CID90535535
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCC(O)(c2ccccc2)C2CC2)cc1
InChIInChI=1S/C20H25NO4S/c1-2-14-25-18-10-12-19(13-11-18)26(23,24)21-15-20(22,17-8-9-17)16-6-4-3-5-7-16/h3-7,10-13,17,21-22H,2,8-9,14-15H2,1H3
InChIKeyCWGKPFOMUGGBOM-UHFFFAOYSA-N
XLogP3.05
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-propoxybenzenesulfonamide
CID 90497139
4-acetyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 71788808
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
3-chloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxybenzenesulfonamide
CID 90535542
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 71788810
N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 95379516
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-propoxybenzenesulfonamide
CID 90523134
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-hydroxypropyl)benzenesulfonamide
CID 90499346

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-propoxybenzenesulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-propoxybenzenesulfonamide (CID 90535535) is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-propoxybenzenesulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-propoxybenzenesulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-propoxybenzenesulfonamide is CCCOc1ccc(S(=O)(=O)NCC(O)(c2ccccc2)C2CC2)cc1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-propoxybenzenesulfonamide?
The InChIKey is CWGKPFOMUGGBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-2-14-25-18-10-12-19(13-11-18)26(23,24)21-15-20(22,17-8-9-17)16-6-4-3-5-7-16/h3-7,10-13,17,21-22H,2,8-9,14-15H2,1H3.
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-propoxybenzenesulfonamide?
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-propoxybenzenesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 3.05, 9 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-propoxybenzenesulfonamide is sourced from PubChem (CID 90535535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).