4-(hydroxymethyl)-2-methoxy-N-methyl-N-pentan-2-ylbenzenesulfonamide

C14H23NO4S — CID 102703965

IUPAC4-(hydroxymethyl)-2-methoxy-N-methyl-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)N(C)S(=O)(=O)c1ccc(CO)cc1OC
InChIInChI=1S/C14H23NO4S/c1-5-6-11(2)15(3)20(17,18)14-8-7-12(10-16)9-13(14)19-4/h7-9,11,16H,5-6,10H2,1-4H3
InChIKeyAJRRPSGXHWOTKP-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.00
Rot. Bonds7

About 4-(hydroxymethyl)-2-methoxy-N-methyl-N-pentan-2-ylbenzenesulfonamide

4-(hydroxymethyl)-2-methoxy-N-methyl-N-pentan-2-ylbenzenesulfonamide (PubChem CID 102703965) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-methoxy-N-methyl-N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-methoxy-N-methyl-N-pentan-2-ylbenzenesulfonamide
PubChem CID102703965
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name4-(hydroxymethyl)-2-methoxy-N-methyl-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)N(C)S(=O)(=O)c1ccc(CO)cc1OC
InChIInChI=1S/C14H23NO4S/c1-5-6-11(2)15(3)20(17,18)14-8-7-12(10-16)9-13(14)19-4/h7-9,11,16H,5-6,10H2,1-4H3
InChIKeyAJRRPSGXHWOTKP-UHFFFAOYSA-N
XLogP2.00
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(hydroxymethyl)-2-methoxy-N-methyl-N-phenylbenzenesulfonamide
CID 102703920
2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide
CID 102704328
4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]-3-methoxybenzoic acid
CID 102695383
4-(chloromethyl)-2-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 102704201
2-fluoro-4-(hydroxymethyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 79187726
4-[butan-2-yl(methyl)sulfamoyl]-3-methoxybenzoic acid
CID 102694697
2-bromo-5-(hydroxymethyl)-N,3-dimethyl-N-pentan-2-ylbenzenesulfonamide
CID 114362999
2-methoxy-5-[methyl(pentan-2-yl)sulfamoyl]benzoic acid
CID 43572047
5-(hydroxymethyl)-2-methoxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 115988140
[4-(azocan-1-ylsulfonyl)-3-methoxyphenyl]methanol
CID 102703936
4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 55135939
N-ethyl-4-(ethylaminomethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 102704364

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-methoxy-N-methyl-N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(hydroxymethyl)-2-methoxy-N-methyl-N-pentan-2-ylbenzenesulfonamide (CID 102703965) is 4-(hydroxymethyl)-2-methoxy-N-methyl-N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-2-methoxy-N-methyl-N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-2-methoxy-N-methyl-N-pentan-2-ylbenzenesulfonamide is CCCC(C)N(C)S(=O)(=O)c1ccc(CO)cc1OC.
What is the InChIKey of 4-(hydroxymethyl)-2-methoxy-N-methyl-N-pentan-2-ylbenzenesulfonamide?
The InChIKey is AJRRPSGXHWOTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-5-6-11(2)15(3)20(17,18)14-8-7-12(10-16)9-13(14)19-4/h7-9,11,16H,5-6,10H2,1-4H3.
What are the key properties of 4-(hydroxymethyl)-2-methoxy-N-methyl-N-pentan-2-ylbenzenesulfonamide?
4-(hydroxymethyl)-2-methoxy-N-methyl-N-pentan-2-ylbenzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-methoxy-N-methyl-N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 102703965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).