4-(hydroxymethyl)-2-methoxy-N-methyl-N-phenylbenzenesulfonamide

C15H17NO4S — CID 102703920

IUPAC4-(hydroxymethyl)-2-methoxy-N-methyl-N-phenylbenzenesulfonamide
SMILESCOc1cc(CO)ccc1S(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C15H17NO4S/c1-16(13-6-4-3-5-7-13)21(18,19)15-9-8-12(11-17)10-14(15)20-2/h3-10,17H,11H2,1-2H3
InChIKeyAFGOWHPQVFJVBH-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.01
Rot. Bonds5

About 4-(hydroxymethyl)-2-methoxy-N-methyl-N-phenylbenzenesulfonamide

4-(hydroxymethyl)-2-methoxy-N-methyl-N-phenylbenzenesulfonamide (PubChem CID 102703920) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-methoxy-N-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-methoxy-N-methyl-N-phenylbenzenesulfonamide
PubChem CID102703920
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name4-(hydroxymethyl)-2-methoxy-N-methyl-N-phenylbenzenesulfonamide
SMILESCOc1cc(CO)ccc1S(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C15H17NO4S/c1-16(13-6-4-3-5-7-13)21(18,19)15-9-8-12(11-17)10-14(15)20-2/h3-10,17H,11H2,1-2H3
InChIKeyAFGOWHPQVFJVBH-UHFFFAOYSA-N
XLogP2.01
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(hydroxymethyl)-2-methoxy-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 102703965
2-fluoro-N-(2-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79178765
N-benzyl-5-(hydroxymethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 113241762
[4-(azocan-1-ylsulfonyl)-3-methoxyphenyl]methanol
CID 102703936
N-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
CID 102703982
4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide
CID 43258003
5-(hydroxymethyl)-2-methoxybenzenesulfonic acid
CID 87294269
4-(2-methoxyphenyl)-N-methyl-N-phenylbenzenesulfonamide
CID 73351058
3-amino-4-methoxy-N-methyl-N-phenylbenzenesulfonamide
CID 28542327
2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide
CID 102704328
[4-(N-methylanilino)phenyl]methanol
CID 43121031
4-(chloromethyl)-2-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 102704201

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-methoxy-N-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of 4-(hydroxymethyl)-2-methoxy-N-methyl-N-phenylbenzenesulfonamide (CID 102703920) is 4-(hydroxymethyl)-2-methoxy-N-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-2-methoxy-N-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-2-methoxy-N-methyl-N-phenylbenzenesulfonamide is COc1cc(CO)ccc1S(=O)(=O)N(C)c1ccccc1.
What is the InChIKey of 4-(hydroxymethyl)-2-methoxy-N-methyl-N-phenylbenzenesulfonamide?
The InChIKey is AFGOWHPQVFJVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-16(13-6-4-3-5-7-13)21(18,19)15-9-8-12(11-17)10-14(15)20-2/h3-10,17H,11H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-2-methoxy-N-methyl-N-phenylbenzenesulfonamide?
4-(hydroxymethyl)-2-methoxy-N-methyl-N-phenylbenzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.01, 5 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-phenylbenzenesulfonamide is sourced from PubChem (CID 102703920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).