3-chloro-4-(methylaminomethyl)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide

C14H17ClN2O2S2 — CID 107091563

IUPAC3-chloro-4-(methylaminomethyl)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCc2cscc2C)cc1Cl
InChIInChI=1S/C14H17ClN2O2S2/c1-10-8-20-9-12(10)7-17-21(18,19)13-4-3-11(6-16-2)14(15)5-13/h3-5,8-9,16-17H,6-7H2,1-2H3
InChIKeyGDWBTBDOGHIMOL-UHFFFAOYSA-N
MW344.89 g/mol
LogP2.91
Rot. Bonds6

About 3-chloro-4-(methylaminomethyl)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide

3-chloro-4-(methylaminomethyl)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide (PubChem CID 107091563) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is 3-chloro-4-(methylaminomethyl)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(methylaminomethyl)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide
PubChem CID107091563
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC Name3-chloro-4-(methylaminomethyl)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCc2cscc2C)cc1Cl
InChIInChI=1S/C14H17ClN2O2S2/c1-10-8-20-9-12(10)7-17-21(18,19)13-4-3-11(6-16-2)14(15)5-13/h3-5,8-9,16-17H,6-7H2,1-2H3
InChIKeyGDWBTBDOGHIMOL-UHFFFAOYSA-N
XLogP2.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-(methylaminomethyl)-N-[(4-methylthiophen-3-yl)methyl]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-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091317
N-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680727
3-chloro-4-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106018256
3-chloro-4-(methylaminomethyl)benzenesulfonamide
CID 107091359
3-chloro-N-(4-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106060808
3-chloro-N-(2-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091650
3-chloro-4-(methylaminomethyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082248
3-chloro-N-(3-cyclopropylpropyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091710
3-chloro-4-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031458
3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-fluorobenzenesulfonamide
CID 3830698
3-chloro-N-(2-chlorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106061900
3-amino-5-fluoro-4-methyl-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide
CID 116792020

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(methylaminomethyl)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-(methylaminomethyl)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide (CID 107091563) is 3-chloro-4-(methylaminomethyl)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(methylaminomethyl)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(methylaminomethyl)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide is CNCc1ccc(S(=O)(=O)NCc2cscc2C)cc1Cl.
What is the InChIKey of 3-chloro-4-(methylaminomethyl)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide?
The InChIKey is GDWBTBDOGHIMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c1-10-8-20-9-12(10)7-17-21(18,19)13-4-3-11(6-16-2)14(15)5-13/h3-5,8-9,16-17H,6-7H2,1-2H3.
What are the key properties of 3-chloro-4-(methylaminomethyl)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide?
3-chloro-4-(methylaminomethyl)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide has a molecular weight of 344.89 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(methylaminomethyl)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 107091563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).