N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(methylamino)benzenesulfonamide

C14H22N2O4S — CID 114953048

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C14H22N2O4S/c1-15-12-5-3-4-6-13(12)21(18,19)16(2)11-14(17)7-9-20-10-8-14/h3-6,15,17H,7-11H2,1-2H3
InChIKeyJWUHCPZATBMTKY-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.89
Rot. Bonds5

About N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(methylamino)benzenesulfonamide

N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(methylamino)benzenesulfonamide (PubChem CID 114953048) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(methylamino)benzenesulfonamide
PubChem CID114953048
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(methylamino)benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)N(C)CC1(O)CCOCC1
InChIInChI=1S/C14H22N2O4S/c1-15-12-5-3-4-6-13(12)21(18,19)16(2)11-14(17)7-9-20-10-8-14/h3-6,15,17H,7-11H2,1-2H3
InChIKeyJWUHCPZATBMTKY-UHFFFAOYSA-N
XLogP0.89
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzenesulfonamide
CID 114951831
4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylbenzenesulfonamide
CID 114951847
2-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzenesulfonamide
CID 114951833
2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,6-dimethylbenzenesulfonamide
CID 114947189
N-[(4-hydroxyoxan-4-yl)methyl]-N,4,5-trimethylthiophene-2-sulfonamide
CID 139012579
N-methyl-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 55257127
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzenesulfonamide
CID 114951868
5-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 114948669
N-methyl-2-(methylamino)-N-pentylbenzenesulfonamide
CID 62143951
3-[(2-methylsulfonylanilino)methyl]oxolan-3-ol
CID 113337725
4-[(4-hydroxyoxan-4-yl)methyl-methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 114948672
N-[(4-hydroxyoxan-4-yl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 114951826

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(methylamino)benzenesulfonamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(methylamino)benzenesulfonamide (CID 114953048) is N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(methylamino)benzenesulfonamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(methylamino)benzenesulfonamide is CNc1ccccc1S(=O)(=O)N(C)CC1(O)CCOCC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(methylamino)benzenesulfonamide?
The InChIKey is JWUHCPZATBMTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-15-12-5-3-4-6-13(12)21(18,19)16(2)11-14(17)7-9-20-10-8-14/h3-6,15,17H,7-11H2,1-2H3.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(methylamino)benzenesulfonamide?
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(methylamino)benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(methylamino)benzenesulfonamide is sourced from PubChem (CID 114953048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).