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

C17H14ClFN2O2S2 — CID 7522038

IUPAC4-chloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1csc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClFN2O2S2/c18-13-3-7-16(8-4-13)25(22,23)20-10-9-15-11-24-17(21-15)12-1-5-14(19)6-2-12/h1-8,11,20H,9-10H2
InChIKeyDVHYGGZWOFKWBA-UHFFFAOYSA-N
MW396.90 g/mol
LogP4.12
Rot. Bonds6

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

4-chloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide (PubChem CID 7522038) has the molecular formula C17H14ClFN2O2S2 and a molecular weight of 396.90 g/mol. Its IUPAC name is 4-chloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
PubChem CID7522038
Molecular FormulaC17H14ClFN2O2S2
Molecular Weight396.90 g/mol
Exact Mass396.02
IUPAC Name4-chloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1csc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClFN2O2S2/c18-13-3-7-16(8-4-13)25(22,23)20-10-9-15-11-24-17(21-15)12-1-5-14(19)6-2-12/h1-8,11,20H,9-10H2
InChIKeyDVHYGGZWOFKWBA-UHFFFAOYSA-N
XLogP4.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Methyl-1,3-Thiazol-4-Yl)-N-(3,3,3-Trifluoropropyl)benzenesulfonamide
CID 73507388
2-[4-(Phenylsulfonyl)-Phenyl}-thiazole-4-yl-methyl-sulfamide, 2a
CID 57340178
2-[4-(4-Chlorophenylsulfonyl)-Phenyl}-thiazole-4-yl-methyl-sulfamide, 2b
CID 57340179
2-[4-(4-Chlorophenylsulfonyl)-Phenyl}-thiazole-4-yl-methyl-sulfamate, 3b
CID 57340182
N,N-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide
CID 118362921
4-chloro-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzenesulfonamide
CID 2738778
5-chloro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 5310037
2,5-difluoro-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 7518696
4-Fluoro-N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-YL]ethyl}-3-methylbenzene-1-sulfonamide
CID 7530810
N-[[2-[4-(butylaminomethyl)phenyl]-1,3-thiazol-4-yl]methyl]-N-cyclopentyl-4-fluorobenzenesulfonamide
CID 53317996
N-((2-phenylthiazol-4-yl)methyl)benzenesulfonamide
CID 16012465
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 3238598

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide (CID 7522038) is 4-chloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide is O=S(=O)(NCCc1csc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
The InChIKey is DVHYGGZWOFKWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O2S2/c18-13-3-7-16(8-4-13)25(22,23)20-10-9-15-11-24-17(21-15)12-1-5-14(19)6-2-12/h1-8,11,20H,9-10H2.
What are the key properties of 4-chloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
4-chloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide has a molecular weight of 396.90 g/mol, XLogP of 4.12, 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-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 7522038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).