4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N-(3,4-dimethoxyphenyl)benzenesulfonamide

C18H17ClN2O5S2 — CID 1487568

IUPAC4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N-(3,4-dimethoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OCc3cnc(Cl)s3)cc2)cc1OC
InChIInChI=1S/C18H17ClN2O5S2/c1-24-16-8-3-12(9-17(16)25-2)21-28(22,23)15-6-4-13(5-7-15)26-11-14-10-20-18(19)27-14/h3-10,21H,11H2,1-2H3
InChIKeyOCMDYTQNUKBENO-UHFFFAOYSA-N
MW440.93 g/mol
LogP4.19
Rot. Bonds8

About 4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N-(3,4-dimethoxyphenyl)benzenesulfonamide

4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N-(3,4-dimethoxyphenyl)benzenesulfonamide (PubChem CID 1487568) has the molecular formula C18H17ClN2O5S2 and a molecular weight of 440.93 g/mol. Its IUPAC name is 4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N-(3,4-dimethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N-(3,4-dimethoxyphenyl)benzenesulfonamide
PubChem CID1487568
Molecular FormulaC18H17ClN2O5S2
Molecular Weight440.93 g/mol
Exact Mass440.03
IUPAC Name4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N-(3,4-dimethoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OCc3cnc(Cl)s3)cc2)cc1OC
InChIInChI=1S/C18H17ClN2O5S2/c1-24-16-8-3-12(9-17(16)25-2)21-28(22,23)15-6-4-13(5-7-15)26-11-14-10-20-18(19)27-14/h3-10,21H,11H2,1-2H3
InChIKeyOCMDYTQNUKBENO-UHFFFAOYSA-N
XLogP4.19
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N-(3,4-dimethoxyphenyl)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

2-[[4-[(2-Chloro-1,3-thiazol-5-yl)methoxy]phenyl]sulfonylamino]benzenesulfonamide
CID 57751024
N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-N-methylmethanesulfonamide
CID 75392450
4-(difluoromethoxy)-3-ethoxy-N-(4-methylsulfonylphenyl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 44603198
4-[3,4-bis(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)anilino]-N-methylbenzenesulfonamide
CID 44603260
3,4-bis(difluoromethoxy)-N-(4-ethylsulfonylphenyl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 59179049
N-[3-[3,4-bis(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)anilino]phenyl]methanesulfonamide
CID 59179072
3,4-bis(difluoromethoxy)-N-(3-methylsulfonylphenyl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 59179073
4-[3,4-bis(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)anilino]benzenesulfonamide
CID 59179131
3,4-bis(difluoromethoxy)-N-(4-methylsulfonylphenyl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 59179132
N-[3-[3,4-bis(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)anilino]phenyl]ethanesulfonamide
CID 59179156
4-[3,4-bis(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)anilino]-N,N-dimethylbenzenesulfonamide
CID 59179166
N-[4-(2-aminopropan-2-ylsulfonyl)phenyl]-3,4-bis(difluoromethoxy)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 70236005

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N-(3,4-dimethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N-(3,4-dimethoxyphenyl)benzenesulfonamide (CID 1487568) is 4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N-(3,4-dimethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N-(3,4-dimethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N-(3,4-dimethoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(OCc3cnc(Cl)s3)cc2)cc1OC.
What is the InChIKey of 4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N-(3,4-dimethoxyphenyl)benzenesulfonamide?
The InChIKey is OCMDYTQNUKBENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O5S2/c1-24-16-8-3-12(9-17(16)25-2)21-28(22,23)15-6-4-13(5-7-15)26-11-14-10-20-18(19)27-14/h3-10,21H,11H2,1-2H3.
What are the key properties of 4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N-(3,4-dimethoxyphenyl)benzenesulfonamide?
4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N-(3,4-dimethoxyphenyl)benzenesulfonamide has a molecular weight of 440.93 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N-(3,4-dimethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 1487568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).