3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

C14H15ClN2O3S — CID 107090629

IUPAC3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccncc1)S(=O)(=O)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C14H15ClN2O3S/c1-17(9-11-4-6-16-7-5-11)21(19,20)13-3-2-12(10-18)14(15)8-13/h2-8,18H,9-10H2,1H3
InChIKeyPFAYQSGAWMPIAM-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.05
Rot. Bonds5

About 3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide

3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 107090629) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID107090629
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccncc1)S(=O)(=O)c1ccc(CO)c(Cl)c1
InChIInChI=1S/C14H15ClN2O3S/c1-17(9-11-4-6-16-7-5-11)21(19,20)13-3-2-12(10-18)14(15)8-13/h2-8,18H,9-10H2,1H3
InChIKeyPFAYQSGAWMPIAM-UHFFFAOYSA-N
XLogP2.05
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107090630
3-chloro-N-(2,2-dimethylpropyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 107090736
4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 106919156
3-chloro-4-(hydroxymethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 107090790
3-chloro-N-(cyclopentylmethyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 107090781
3-chloro-N-(4-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 107090740
3-chloro-4-(hydroxymethyl)-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 107090640
N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-1,3-benzoxazole-6-sulfonamide
CID 110724834
N,1-dimethyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-indole-5-sulfonamide
CID 110724844
4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methylbenzenesulfonamide
CID 107091417
N-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 7937766
2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 43564507

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 107090629) is 3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is CN(Cc1ccncc1)S(=O)(=O)c1ccc(CO)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is PFAYQSGAWMPIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-17(9-11-4-6-16-7-5-11)21(19,20)13-3-2-12(10-18)14(15)8-13/h2-8,18H,9-10H2,1H3.
What are the key properties of 3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide?
3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 326.81 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 107090629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).