N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-(2-phenylphenoxy)benzenesulfonamide

C22H14ClN3O3S2 — CID 71716792

IUPACN-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-(2-phenylphenoxy)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C22H14ClN3O3S2/c23-21-14-25-22(30-21)26-31(27,28)17-10-11-19(16(12-17)13-24)29-20-9-5-4-8-18(20)15-6-2-1-3-7-15/h1-12,14H,(H,25,26)
InChIKeyMUCSAWBTCMRIFZ-UHFFFAOYSA-N
MW467.96 g/mol
LogP5.93
Rot. Bonds6

About N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-(2-phenylphenoxy)benzenesulfonamide

N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-(2-phenylphenoxy)benzenesulfonamide (PubChem CID 71716792) has the molecular formula C22H14ClN3O3S2 and a molecular weight of 467.96 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-(2-phenylphenoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-(2-phenylphenoxy)benzenesulfonamide
PubChem CID71716792
Molecular FormulaC22H14ClN3O3S2
Molecular Weight467.96 g/mol
Exact Mass467.02
IUPAC NameN-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-(2-phenylphenoxy)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C22H14ClN3O3S2/c23-21-14-25-22(30-21)26-31(27,28)17-10-11-19(16(12-17)13-24)29-20-9-5-4-8-18(20)15-6-2-1-3-7-15/h1-12,14H,(H,25,26)
InChIKeyMUCSAWBTCMRIFZ-UHFFFAOYSA-N
XLogP5.93
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.96
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyano-N-(5-methyl-1,3-thiazol-2-yl)-4-(2-phenylphenoxy)benzenesulfonamide
CID 71717541
3-cyano-4-(2-phenylphenoxy)-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 59436540
3-cyano-4-(2-phenylphenoxy)-N-[6-(trifluoromethyl)pyrimidin-4-yl]benzenesulfonamide
CID 71720578
N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-fluorobenzenesulfonamide
CID 59436522
3-cyano-4-[(6-phenyl-4-pyridin-4-yl-3-pyridinyl)oxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 90099750
4-[4-chloro-3-(pyrazol-1-ylmethyl)phenoxy]-3-cyano-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
CID 71718632
3-cyano-4-(2-fluorophenoxy)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 118009901
4-[2-chloro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-3-cyano-N-(5-fluoro-1,3-thiazol-2-yl)benzenesulfonamide
CID 71718087
4-[4-chloro-2-(4-fluoro-1H-pyrazol-5-yl)phenoxy]-3-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71716840
2-[5-chloro-2-[2-cyano-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenoxy]phenyl]acetic acid
CID 91902973
3-cyano-4-[2-(3-cyanophenyl)-4-(trifluoromethyl)phenoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71717493
4-[4-(4-chlorophenyl)-1-methylpyrazol-3-yl]oxy-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716180

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-(2-phenylphenoxy)benzenesulfonamide?
The IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-(2-phenylphenoxy)benzenesulfonamide (CID 71716792) is N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-(2-phenylphenoxy)benzenesulfonamide.
What is the SMILES notation for N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-(2-phenylphenoxy)benzenesulfonamide?
The canonical SMILES for N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-(2-phenylphenoxy)benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccccc1-c1ccccc1.
What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-(2-phenylphenoxy)benzenesulfonamide?
The InChIKey is MUCSAWBTCMRIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN3O3S2/c23-21-14-25-22(30-21)26-31(27,28)17-10-11-19(16(12-17)13-24)29-20-9-5-4-8-18(20)15-6-2-1-3-7-15/h1-12,14H,(H,25,26).
What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-(2-phenylphenoxy)benzenesulfonamide?
N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-(2-phenylphenoxy)benzenesulfonamide has a molecular weight of 467.96 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-thiazol-2-yl)-3-cyano-4-(2-phenylphenoxy)benzenesulfonamide is sourced from PubChem (CID 71716792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).