N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide

C16H19NO3S — CID 63311640

IUPACN-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cccc(CO)c2)cc1C
InChIInChI=1S/C16H19NO3S/c1-12-6-7-16(8-13(12)2)21(19,20)17-10-14-4-3-5-15(9-14)11-18/h3-9,17-18H,10-11H2,1-2H3
InChIKeyUGMWXSZEPWEKTN-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.27
Rot. Bonds5

About N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide

N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 63311640) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide
PubChem CID63311640
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cccc(CO)c2)cc1C
InChIInChI=1S/C16H19NO3S/c1-12-6-7-16(8-13(12)2)21(19,20)17-10-14-4-3-5-15(9-14)11-18/h3-9,17-18H,10-11H2,1-2H3
InChIKeyUGMWXSZEPWEKTN-UHFFFAOYSA-N
XLogP2.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107212446
3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63311681
4-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63311549
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
CID 107212459
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzenesulfonamide
CID 107232038
2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63312066
N-[(3-aminophenyl)methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 43593541
3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110782569
N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 22206204
3-chloro-N-[(3-iodophenyl)methyl]-4-methylbenzenesulfonamide
CID 5017106

Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide (CID 63311640) is N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2cccc(CO)c2)cc1C.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is UGMWXSZEPWEKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12-6-7-16(8-13(12)2)21(19,20)17-10-14-4-3-5-15(9-14)11-18/h3-9,17-18H,10-11H2,1-2H3.
What are the key properties of N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide?
N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hydroxymethyl)phenyl]methyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 63311640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).