4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide

C17H15ClN2O2S2 — CID 2386160

IUPAC4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1csc(-c2ccccc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O2S2/c18-14-6-8-16(9-7-14)24(21,22)19-11-10-15-12-23-17(20-15)13-4-2-1-3-5-13/h1-9,12,19H,10-11H2
InChIKeyKEVWMXJFKDCDMR-UHFFFAOYSA-N
MW378.91 g/mol
LogP3.98
Rot. Bonds6

About 4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide

4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 2386160) has the molecular formula C17H15ClN2O2S2 and a molecular weight of 378.91 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID2386160
Molecular FormulaC17H15ClN2O2S2
Molecular Weight378.91 g/mol
Exact Mass378.03
IUPAC Name4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1csc(-c2ccccc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O2S2/c18-14-6-8-16(9-7-14)24(21,22)19-11-10-15-12-23-17(20-15)13-4-2-1-3-5-13/h1-9,12,19H,10-11H2
InChIKeyKEVWMXJFKDCDMR-UHFFFAOYSA-N
XLogP3.98
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.91
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylethanesulfonamide
CID 7216713
N-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110317259
N-(ethylsulfamoyl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 110624843
2-(4-chlorophenyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35343942
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-2-sulfonamide
CID 16805893
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethylbenzenesulfonamide
CID 7518601
2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 110305114
3-chloro-4-methoxy-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 38997085
2,4-bis(methylsulfonyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]aniline
CID 133348701
3-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethylsulfamoyl]benzoic acid
CID 110625038
3-fluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzenesulfonamide
CID 7522047
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 47093261

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 2386160) is 4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1csc(-c2ccccc2)n1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is KEVWMXJFKDCDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S2/c18-14-6-8-16(9-7-14)24(21,22)19-11-10-15-12-23-17(20-15)13-4-2-1-3-5-13/h1-9,12,19H,10-11H2.
What are the key properties of 4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 378.91 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 2386160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).