2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide

C11H11ClN2O3S2 — CID 107230342

IUPAC2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCc1cccc(CO)c1)c1cnc(Cl)s1
InChIInChI=1S/C11H11ClN2O3S2/c12-11-13-6-10(18-11)19(16,17)14-5-8-2-1-3-9(4-8)7-15/h1-4,6,14-15H,5,7H2
InChIKeyZMIQPLKKINGKIP-UHFFFAOYSA-N
MW318.81 g/mol
LogP1.77
Rot. Bonds5

About 2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 107230342) has the molecular formula C11H11ClN2O3S2 and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
PubChem CID107230342
Molecular FormulaC11H11ClN2O3S2
Molecular Weight318.81 g/mol
Exact Mass317.99
IUPAC Name2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCc1cccc(CO)c1)c1cnc(Cl)s1
InChIInChI=1S/C11H11ClN2O3S2/c12-11-13-6-10(18-11)19(16,17)14-5-8-2-1-3-9(4-8)7-15/h1-4,6,14-15H,5,7H2
InChIKeyZMIQPLKKINGKIP-UHFFFAOYSA-N
XLogP1.77
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide 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

N-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole-5-sulfonamide
CID 61401742
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 43455863
2,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63312066
2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 106899619
N-benzyl-2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]acetamide
CID 61053150
2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61215673
5-cyano-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 106272347
3,5-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 63311681
2-chloro-N-[2-(3-fluorophenyl)ethyl]-1,3-thiazole-5-sulfonamide
CID 43566269
4-amino-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 107212436
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61249590
2-chloro-N-(3-hydroxypropyl)-1,3-thiazole-5-sulfonamide
CID 61051529

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide (CID 107230342) is 2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide is O=S(=O)(NCc1cccc(CO)c1)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is ZMIQPLKKINGKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S2/c12-11-13-6-10(18-11)19(16,17)14-5-8-2-1-3-9(4-8)7-15/h1-4,6,14-15H,5,7H2.
What are the key properties of 2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 318.81 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 107230342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).