N-(3-methylphenyl)-1-(oxan-4-yl)methanesulfonamide

C13H19NO3S — CID 176560175

IUPACN-(3-methylphenyl)-1-(oxan-4-yl)methanesulfonamide
SMILESCc1cccc(NS(=O)(=O)CC2CCOCC2)c1
InChIInChI=1S/C13H19NO3S/c1-11-3-2-4-13(9-11)14-18(15,16)10-12-5-7-17-8-6-12/h2-4,9,12,14H,5-8,10H2,1H3
InChIKeyRTOLVFATFUMGJB-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.16
Rot. Bonds4

About N-(3-methylphenyl)-1-(oxan-4-yl)methanesulfonamide

N-(3-methylphenyl)-1-(oxan-4-yl)methanesulfonamide (PubChem CID 176560175) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-(oxan-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-(oxan-4-yl)methanesulfonamide
PubChem CID176560175
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-(3-methylphenyl)-1-(oxan-4-yl)methanesulfonamide
SMILESCc1cccc(NS(=O)(=O)CC2CCOCC2)c1
InChIInChI=1S/C13H19NO3S/c1-11-3-2-4-13(9-11)14-18(15,16)10-12-5-7-17-8-6-12/h2-4,9,12,14H,5-8,10H2,1H3
InChIKeyRTOLVFATFUMGJB-UHFFFAOYSA-N
XLogP2.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)morpholine-4-sulfonamide
CID 110706005
1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide
CID 61453827
3-iodo-N-(3-methylphenyl)propane-1-sulfonamide
CID 146534327
4-chloro-N-(3-methylphenyl)butane-1-sulfonamide
CID 116815142
N-[3-(oxolan-3-ylmethylamino)phenyl]methanesulfonamide
CID 43208091
(3-methylphenyl)sulfamic acid
CID 10307955
N-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide
CID 61454090
N-(3-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 65378828
1-(4-chlorophenyl)-N-(3-methylphenyl)methanesulfonamide
CID 18891258
4-[(3-bromophenyl)sulfonylmethyl]oxane
CID 138986033
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
1-[1-[bis(4-methylphenyl)methyl]azetidin-3-yl]-N-(3-fluorophenyl)methanesulfonamide
CID 141357554

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1-(oxan-4-yl)methanesulfonamide?
The IUPAC name of N-(3-methylphenyl)-1-(oxan-4-yl)methanesulfonamide (CID 176560175) is N-(3-methylphenyl)-1-(oxan-4-yl)methanesulfonamide.
What is the SMILES notation for N-(3-methylphenyl)-1-(oxan-4-yl)methanesulfonamide?
The canonical SMILES for N-(3-methylphenyl)-1-(oxan-4-yl)methanesulfonamide is Cc1cccc(NS(=O)(=O)CC2CCOCC2)c1.
What is the InChIKey of N-(3-methylphenyl)-1-(oxan-4-yl)methanesulfonamide?
The InChIKey is RTOLVFATFUMGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-11-3-2-4-13(9-11)14-18(15,16)10-12-5-7-17-8-6-12/h2-4,9,12,14H,5-8,10H2,1H3.
What are the key properties of N-(3-methylphenyl)-1-(oxan-4-yl)methanesulfonamide?
N-(3-methylphenyl)-1-(oxan-4-yl)methanesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1-(oxan-4-yl)methanesulfonamide is sourced from PubChem (CID 176560175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).