N-[(4-chlorophenyl)methyl]-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide

C19H19ClN2O3S2 — CID 53117943

IUPACN-[(4-chlorophenyl)methyl]-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O3S2/c1-3-25-18-9-6-15(17-12-26-13(2)22-17)10-19(18)27(23,24)21-11-14-4-7-16(20)8-5-14/h4-10,12,21H,3,11H2,1-2H3
InChIKeyDGIGNPJEQVVWCM-UHFFFAOYSA-N
MW422.96 g/mol
LogP4.65
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide

N-[(4-chlorophenyl)methyl]-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 53117943) has the molecular formula C19H19ClN2O3S2 and a molecular weight of 422.96 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID53117943
Molecular FormulaC19H19ClN2O3S2
Molecular Weight422.96 g/mol
Exact Mass422.05
IUPAC NameN-[(4-chlorophenyl)methyl]-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O3S2/c1-3-25-18-9-6-15(17-12-26-13(2)22-17)10-19(18)27(23,24)21-11-14-4-7-16(20)8-5-14/h4-10,12,21H,3,11H2,1-2H3
InChIKeyDGIGNPJEQVVWCM-UHFFFAOYSA-N
XLogP4.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 53117968
N-cyclopentyl-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53117946
N-benzyl-5-chloro-2-ethoxybenzenesulfonamide
CID 2992012
N-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53117941
2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 53036322
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974200
N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974307
4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide
CID 108780120
N-butan-2-yl-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036300
N-(2-chloro-4-methylphenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036320
2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzoic acid
CID 97035954
5-chloro-N-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-hydroxybenzenesulfonamide
CID 166396302

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide (CID 53117943) is N-[(4-chlorophenyl)methyl]-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide is CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is DGIGNPJEQVVWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S2/c1-3-25-18-9-6-15(17-12-26-13(2)22-17)10-19(18)27(23,24)21-11-14-4-7-16(20)8-5-14/h4-10,12,21H,3,11H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
N-[(4-chlorophenyl)methyl]-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 422.96 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 53117943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).