2-chloro-N-[3-chloro-5-[(5-cyano-1,3-benzothiazol-2-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide

C21H10Cl2F3N3O3S2 — CID 18511626

IUPAC2-chloro-N-[3-chloro-5-[(5-cyano-1,3-benzothiazol-2-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESN#Cc1ccc2sc(Oc3cc(Cl)cc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4Cl)c3)nc2c1
InChIInChI=1S/C21H10Cl2F3N3O3S2/c22-13-7-14(29-34(30,31)19-4-2-12(6-16(19)23)21(24,25)26)9-15(8-13)32-20-28-17-5-11(10-27)1-3-18(17)33-20/h1-9,29H
InChIKeyAQSKTQIBCKYAKJ-UHFFFAOYSA-N
MW544.36 g/mol
LogP7.09
Rot. Bonds5

About 2-chloro-N-[3-chloro-5-[(5-cyano-1,3-benzothiazol-2-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide

2-chloro-N-[3-chloro-5-[(5-cyano-1,3-benzothiazol-2-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 18511626) has the molecular formula C21H10Cl2F3N3O3S2 and a molecular weight of 544.36 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-5-[(5-cyano-1,3-benzothiazol-2-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-chloro-5-[(5-cyano-1,3-benzothiazol-2-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID18511626
Molecular FormulaC21H10Cl2F3N3O3S2
Molecular Weight544.36 g/mol
Exact Mass542.95
IUPAC Name2-chloro-N-[3-chloro-5-[(5-cyano-1,3-benzothiazol-2-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESN#Cc1ccc2sc(Oc3cc(Cl)cc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4Cl)c3)nc2c1
InChIInChI=1S/C21H10Cl2F3N3O3S2/c22-13-7-14(29-34(30,31)19-4-2-12(6-16(19)23)21(24,25)26)9-15(8-13)32-20-28-17-5-11(10-27)1-3-18(17)33-20/h1-9,29H
InChIKeyAQSKTQIBCKYAKJ-UHFFFAOYSA-N
XLogP7.09
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.36
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[3-chloro-5-[(5-cyano-1,3-benzothiazol-2-yl)oxy]phenyl]-4-(trifluoromethyl)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-chloro-N-[3-chloro-5-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 18511523
2,4-dichloro-N-[3-chloro-5-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide
CID 18511554
2-chloro-N-[3,5-dichloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 10121544
2,4-dichloro-N-[3,5-dichloro-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]phenyl]benzenesulfonamide
CID 22148897
N-[3-acetyl-5-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-2-chloro-4-(trifluoromethyl)benzenesulfonamide
CID 22148793
3-[(5-chloro-1,3-benzothiazol-2-yl)oxy]-5-[(2,4-dichloro-5-methylphenyl)sulfonylamino]-N-ethylbenzamide
CID 18511610
2-chloro-N-(5-chloro-6-isoquinolin-3-yloxy-3-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide
CID 24852476
2-chloro-N-[3,5-dichloro-4-[(6-methoxy-1-benzothiophen-2-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 87328528
2-chloro-N-[3,5-dichloro-4-[(6-methyl-1,3-benzothiazol-2-yl)amino]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 10188069
[2-[[3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]sulfamoyl]-5-(trifluoromethyl)phenyl]chloranium
CID 143108321
[3-chloro-5-[(5-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]carbamic acid
CID 18511544
2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide
CID 47154362

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-5-[(5-cyano-1,3-benzothiazol-2-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[3-chloro-5-[(5-cyano-1,3-benzothiazol-2-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide (CID 18511626) is 2-chloro-N-[3-chloro-5-[(5-cyano-1,3-benzothiazol-2-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-chloro-5-[(5-cyano-1,3-benzothiazol-2-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[3-chloro-5-[(5-cyano-1,3-benzothiazol-2-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide is N#Cc1ccc2sc(Oc3cc(Cl)cc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4Cl)c3)nc2c1.
What is the InChIKey of 2-chloro-N-[3-chloro-5-[(5-cyano-1,3-benzothiazol-2-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AQSKTQIBCKYAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10Cl2F3N3O3S2/c22-13-7-14(29-34(30,31)19-4-2-12(6-16(19)23)21(24,25)26)9-15(8-13)32-20-28-17-5-11(10-27)1-3-18(17)33-20/h1-9,29H.
What are the key properties of 2-chloro-N-[3-chloro-5-[(5-cyano-1,3-benzothiazol-2-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-[3-chloro-5-[(5-cyano-1,3-benzothiazol-2-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 544.36 g/mol, XLogP of 7.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-chloro-5-[(5-cyano-1,3-benzothiazol-2-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 18511626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).