N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-4-methylbenzenesulfonamide

C17H12ClN3O3S2 — CID 133425195

IUPACN-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3snc(Cl)c3C#N)cc2)cc1
InChIInChI=1S/C17H12ClN3O3S2/c1-11-2-8-14(9-3-11)26(22,23)21-12-4-6-13(7-5-12)24-17-15(10-19)16(18)20-25-17/h2-9,21H,1H3
InChIKeySQELEPVUWPBLNE-UHFFFAOYSA-N
MW405.89 g/mol
LogP4.57
Rot. Bonds5

About N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-4-methylbenzenesulfonamide

N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-4-methylbenzenesulfonamide (PubChem CID 133425195) has the molecular formula C17H12ClN3O3S2 and a molecular weight of 405.89 g/mol. Its IUPAC name is N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-4-methylbenzenesulfonamide
PubChem CID133425195
Molecular FormulaC17H12ClN3O3S2
Molecular Weight405.89 g/mol
Exact Mass405.00
IUPAC NameN-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3snc(Cl)c3C#N)cc2)cc1
InChIInChI=1S/C17H12ClN3O3S2/c1-11-2-8-14(9-3-11)26(22,23)21-12-4-6-13(7-5-12)24-17-15(10-19)16(18)20-25-17/h2-9,21H,1H3
InChIKeySQELEPVUWPBLNE-UHFFFAOYSA-N
XLogP4.57
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-chlorophenoxy)phenyl]-4-cyanobenzenesulfonamide
CID 3735130
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
N-(4-tert-butylphenyl)-4-(3-chloro-2-cyanophenoxy)benzenesulfonamide
CID 3765000
N-[4-(2-cyano-4-nitrophenoxy)phenyl]-4-methylbenzenesulfonamide
CID 9107537
N-[4-(3,4-dimethylphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 1377807
4-methyl-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 70703505
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-methyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]benzenesulfonamide
CID 169370934
N-(4-methylphenyl)-4-prop-2-ynoxybenzenesulfonamide
CID 141457876
N-[4-chloro-6-(4-chlorophenyl)-5-cyanopyrimidin-2-yl]-4-methylbenzenesulfonamide
CID 172636375

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-4-methylbenzenesulfonamide (CID 133425195) is N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Oc3snc(Cl)c3C#N)cc2)cc1.
What is the InChIKey of N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is SQELEPVUWPBLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O3S2/c1-11-2-8-14(9-3-11)26(22,23)21-12-4-6-13(7-5-12)24-17-15(10-19)16(18)20-25-17/h2-9,21H,1H3.
What are the key properties of N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-4-methylbenzenesulfonamide?
N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 405.89 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 133425195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).