4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide

C18H23NO3S — CID 3691488

IUPAC4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NCC(O)c2ccccc2)cc1
InChIInChI=1S/C18H23NO3S/c1-2-3-7-15-10-12-17(13-11-15)23(21,22)19-14-18(20)16-8-5-4-6-9-16/h4-6,8-13,18-20H,2-3,7,14H2,1H3
InChIKeyPTYCNVPIZPWJJB-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.04
Rot. Bonds8

About 4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide

4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide (PubChem CID 3691488) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide
PubChem CID3691488
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NCC(O)c2ccccc2)cc1
InChIInChI=1S/C18H23NO3S/c1-2-3-7-15-10-12-17(13-11-15)23(21,22)19-14-18(20)16-8-5-4-6-9-16/h4-6,8-13,18-20H,2-3,7,14H2,1H3
InChIKeyPTYCNVPIZPWJJB-UHFFFAOYSA-N
XLogP3.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 6930626
N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide
CID 3731751
4-hexyl-N-(2-hydroxypropyl)benzenesulfonamide
CID 84558138
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide
CID 110663517
N-(2-hydroxypropyl)-4-propylbenzenesulfonamide
CID 3391675
3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid
CID 14536999
N-[(2S)-2-hydroxy-2-phenylethyl]propane-1-sulfonamide
CID 93084157
N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-4-methylbenzenesulfonamide
CID 169370345
4-butyl-N-diphenylphosphanylbenzenesulfonamide
CID 58097783
4-butyl-N-diethylphosphanylbenzenesulfonamide;N-diethylphosphanylbenzenesulfonamide
CID 145301695
4-butyl-N-prop-2-enylbenzenesulfonamide
CID 6470991
4-butylbenzenesulfonohydrazide
CID 17255521

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide (CID 3691488) is 4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide is CCCCc1ccc(S(=O)(=O)NCC(O)c2ccccc2)cc1.
What is the InChIKey of 4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide?
The InChIKey is PTYCNVPIZPWJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-2-3-7-15-10-12-17(13-11-15)23(21,22)19-14-18(20)16-8-5-4-6-9-16/h4-6,8-13,18-20H,2-3,7,14H2,1H3.
What are the key properties of 4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide?
4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 3691488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).