N-(3-hydroxy-3-naphthalen-1-ylpropyl)-4-propylbenzenesulfonamide

C22H25NO3S — CID 90524520

IUPACN-(3-hydroxy-3-naphthalen-1-ylpropyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCC(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H25NO3S/c1-2-6-17-11-13-19(14-12-17)27(25,26)23-16-15-22(24)21-10-5-8-18-7-3-4-9-20(18)21/h3-5,7-14,22-24H,2,6,15-16H2,1H3
InChIKeyZFMGNKCQNSYNKU-UHFFFAOYSA-N
MW383.51 g/mol
LogP4.19
Rot. Bonds8

About N-(3-hydroxy-3-naphthalen-1-ylpropyl)-4-propylbenzenesulfonamide

N-(3-hydroxy-3-naphthalen-1-ylpropyl)-4-propylbenzenesulfonamide (PubChem CID 90524520) has the molecular formula C22H25NO3S and a molecular weight of 383.51 g/mol. Its IUPAC name is N-(3-hydroxy-3-naphthalen-1-ylpropyl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)-4-propylbenzenesulfonamide
PubChem CID90524520
Molecular FormulaC22H25NO3S
Molecular Weight383.51 g/mol
Exact Mass383.16
IUPAC NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCC(O)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H25NO3S/c1-2-6-17-11-13-19(14-12-17)27(25,26)23-16-15-22(24)21-10-5-8-18-7-3-4-9-20(18)21/h3-5,7-14,22-24H,2,6,15-16H2,1H3
InChIKeyZFMGNKCQNSYNKU-UHFFFAOYSA-N
XLogP4.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-phenylethanesulfonamide
CID 90524502
3-fluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
CID 90524496
N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride
CID 119972319
N-(3-cyclopropyl-3-hydroxypropyl)-4-propylbenzenesulfonamide
CID 71787498
4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
CID 56764144
N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide
CID 90497393
2,5-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
CID 90524514
2,4-difluoro-N-(3-hydroxy-3-naphthalen-1-ylpropyl)benzenesulfonamide
CID 90524516
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,4-dimethoxybenzenesulfonamide
CID 90524557
N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide
CID 90524322
N-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide
CID 104594124
N-(2-hydroxypropyl)-4-propylbenzenesulfonamide
CID 3391675

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-4-propylbenzenesulfonamide (CID 90524520) is N-(3-hydroxy-3-naphthalen-1-ylpropyl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCCC(O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-4-propylbenzenesulfonamide?
The InChIKey is ZFMGNKCQNSYNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3S/c1-2-6-17-11-13-19(14-12-17)27(25,26)23-16-15-22(24)21-10-5-8-18-7-3-4-9-20(18)21/h3-5,7-14,22-24H,2,6,15-16H2,1H3.
What are the key properties of N-(3-hydroxy-3-naphthalen-1-ylpropyl)-4-propylbenzenesulfonamide?
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-4-propylbenzenesulfonamide has a molecular weight of 383.51 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-naphthalen-1-ylpropyl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 90524520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).