5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide

C13H13Cl2NO3S2 — CID 82878613

IUPAC5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide
SMILESCc1c(CO)cc(Cl)cc1S(=O)(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C13H13Cl2NO3S2/c1-8-9(7-17)4-10(14)5-12(8)21(18,19)16-6-11-2-3-13(15)20-11/h2-5,16-17H,6-7H2,1H3
InChIKeyHXWFHCXFXVCJLK-UHFFFAOYSA-N
MW366.29 g/mol
LogP3.33
Rot. Bonds5

About 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide

5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide (PubChem CID 82878613) has the molecular formula C13H13Cl2NO3S2 and a molecular weight of 366.29 g/mol. Its IUPAC name is 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide
PubChem CID82878613
Molecular FormulaC13H13Cl2NO3S2
Molecular Weight366.29 g/mol
Exact Mass364.97
IUPAC Name5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide
SMILESCc1c(CO)cc(Cl)cc1S(=O)(=O)NCc1ccc(Cl)s1
InChIInChI=1S/C13H13Cl2NO3S2/c1-8-9(7-17)4-10(14)5-12(8)21(18,19)16-6-11-2-3-13(15)20-11/h2-5,16-17H,6-7H2,1H3
InChIKeyHXWFHCXFXVCJLK-UHFFFAOYSA-N
XLogP3.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide 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

5-chloro-3-(hydroxymethyl)-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 82879925
5-chloro-3-(hydroxymethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 82890856
N-butyl-5-chloro-3-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 82891312
3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 103051563
5-chloro-3-(hydroxymethyl)-2-methyl-N-(5-methylhexyl)benzenesulfonamide
CID 82878621
5-chloro-3-(hydroxymethyl)-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 106295804
5-chloro-3-(hydroxymethyl)-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 82891386
5-chloro-N-ethyl-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 82885173
5-chloro-3-(hydroxymethyl)-2-methyl-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 106000853
5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 82891157
N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-2-(methylaminomethyl)benzenesulfonamide
CID 102920827
2-amino-5-chloro-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 55029578

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide (CID 82878613) is 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide is Cc1c(CO)cc(Cl)cc1S(=O)(=O)NCc1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide?
The InChIKey is HXWFHCXFXVCJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3S2/c1-8-9(7-17)4-10(14)5-12(8)21(18,19)16-6-11-2-3-13(15)20-11/h2-5,16-17H,6-7H2,1H3.
What are the key properties of 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide?
5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide has a molecular weight of 366.29 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 82878613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).