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

C11H11ClN2O3S2 — CID 43455847

IUPAC2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H11ClN2O3S2/c1-17-9-5-3-2-4-8(9)6-14-19(15,16)10-7-13-11(12)18-10/h2-5,7,14H,6H2,1H3
InChIKeyGLVMFRASMWARGK-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.28
Rot. Bonds5

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

2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 43455847) has the molecular formula C11H11ClN2O3S2 and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
PubChem CID43455847
Molecular FormulaC11H11ClN2O3S2
Molecular Weight318.81 g/mol
Exact Mass317.99
IUPAC Name2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C11H11ClN2O3S2/c1-17-9-5-3-2-4-8(9)6-14-19(15,16)10-7-13-11(12)18-10/h2-5,7,14H,6H2,1H3
InChIKeyGLVMFRASMWARGK-UHFFFAOYSA-N
XLogP2.28
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 61051507
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 62880621
5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 43332828
2-chloro-N-[(2-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 43414928
3,4-dichloro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 26948553
N-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53111981
2-chloro-N-[(4-ethylphenyl)methyl]-1,3-thiazole-5-sulfonamide
CID 106899619
2-chloro-N-(2-ethylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455810
N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3238779
N-[(5-amino-2-methoxyphenyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413904
2-chloro-N-(2-methoxypropyl)-1,3-thiazole-5-sulfonamide
CID 102697806
1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 21041220

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide (CID 43455847) is 2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide is COc1ccccc1CNS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is GLVMFRASMWARGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S2/c1-17-9-5-3-2-4-8(9)6-14-19(15,16)10-7-13-11(12)18-10/h2-5,7,14H,6H2,1H3.
What are the key properties of 2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 318.81 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).