N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide

C14H21NO4S — CID 110292782

IUPACN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(CO)CCOCC2)cc1
InChIInChI=1S/C14H21NO4S/c1-12-2-4-13(5-3-12)20(17,18)15-10-14(11-16)6-8-19-9-7-14/h2-5,15-16H,6-11H2,1H3
InChIKeySDLBDARUEJJQPG-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.06
Rot. Bonds5

About N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide

N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 110292782) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID110292782
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2(CO)CCOCC2)cc1
InChIInChI=1S/C14H21NO4S/c1-12-2-4-13(5-3-12)20(17,18)15-10-14(11-16)6-8-19-9-7-14/h2-5,15-16H,6-11H2,1H3
InChIKeySDLBDARUEJJQPG-UHFFFAOYSA-N
XLogP1.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 110292787
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 115455389
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110292799
N-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide
CID 115456564
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide
CID 113313712
N-[4-[[1-(hydroxymethyl)cyclopentyl]methylsulfamoyl]phenyl]acetamide
CID 110642376
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzenesulfonamide
CID 110292626
N-[4-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]phenyl]acetamide
CID 110292661
(4-fluorooxan-4-yl)methanol;(4-fluorooxan-4-yl)methyl 4-methylbenzenesulfonate
CID 157477920
1-acetyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 110292834
4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269303
3-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 110642368

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide (CID 110292782) is N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2(CO)CCOCC2)cc1.
What is the InChIKey of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is SDLBDARUEJJQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-12-2-4-13(5-3-12)20(17,18)15-10-14(11-16)6-8-19-9-7-14/h2-5,15-16H,6-11H2,1H3.
What are the key properties of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide?
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 110292782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).