2-chloro-N-[(2-methyloxan-4-yl)methyl]benzenesulfonamide

C13H18ClNO3S — CID 75440507

IUPAC2-chloro-N-[(2-methyloxan-4-yl)methyl]benzenesulfonamide
SMILESCC1CC(CNS(=O)(=O)c2ccccc2Cl)CCO1
InChIInChI=1S/C13H18ClNO3S/c1-10-8-11(6-7-18-10)9-15-19(16,17)13-5-3-2-4-12(13)14/h2-5,10-11,15H,6-9H2,1H3
InChIKeyWNIZBTGGDCIOCY-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.43
Rot. Bonds4

About 2-chloro-N-[(2-methyloxan-4-yl)methyl]benzenesulfonamide

2-chloro-N-[(2-methyloxan-4-yl)methyl]benzenesulfonamide (PubChem CID 75440507) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 2-chloro-N-[(2-methyloxan-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methyloxan-4-yl)methyl]benzenesulfonamide
PubChem CID75440507
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name2-chloro-N-[(2-methyloxan-4-yl)methyl]benzenesulfonamide
SMILESCC1CC(CNS(=O)(=O)c2ccccc2Cl)CCO1
InChIInChI=1S/C13H18ClNO3S/c1-10-8-11(6-7-18-10)9-15-19(16,17)13-5-3-2-4-12(13)14/h2-5,10-11,15H,6-9H2,1H3
InChIKeyWNIZBTGGDCIOCY-UHFFFAOYSA-N
XLogP2.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-fluoro-N-[[(2R,4S)-2-methyloxan-4-yl]methyl]benzenesulfonamide
CID 125136254
2-chloro-N-[(3-chlorocyclobutyl)methyl]benzenesulfonamide
CID 66004603
2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide
CID 110709330
2-chloro-N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110640667
N-[[(2R,4S)-2-methyloxan-4-yl]methyl]-1-(4-nitrophenyl)methanesulfonamide
CID 125136236
2-chloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107412513
1-methyl-N-[(2-methyloxan-4-yl)methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 75398819
2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813135
4-amino-2-chloro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63726955
2-amino-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide
CID 104859207
4-chloro-3-[(3-methylcyclopentyl)methylsulfamoyl]benzoic acid
CID 107411393
2-(ethylamino)-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 55119396

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methyloxan-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(2-methyloxan-4-yl)methyl]benzenesulfonamide (CID 75440507) is 2-chloro-N-[(2-methyloxan-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(2-methyloxan-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(2-methyloxan-4-yl)methyl]benzenesulfonamide is CC1CC(CNS(=O)(=O)c2ccccc2Cl)CCO1.
What is the InChIKey of 2-chloro-N-[(2-methyloxan-4-yl)methyl]benzenesulfonamide?
The InChIKey is WNIZBTGGDCIOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-10-8-11(6-7-18-10)9-15-19(16,17)13-5-3-2-4-12(13)14/h2-5,10-11,15H,6-9H2,1H3.
What are the key properties of 2-chloro-N-[(2-methyloxan-4-yl)methyl]benzenesulfonamide?
2-chloro-N-[(2-methyloxan-4-yl)methyl]benzenesulfonamide has a molecular weight of 303.81 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methyloxan-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 75440507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).