3,5-dichloro-4-[1-(2-fluorophenyl)ethylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C17H14Cl2FN3O2S2 — CID 134585802

IUPAC3,5-dichloro-4-[1-(2-fluorophenyl)ethylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(Nc1c(Cl)cc(S(=O)(=O)Nc2nccs2)cc1Cl)c1ccccc1F
InChIInChI=1S/C17H14Cl2FN3O2S2/c1-10(12-4-2-3-5-15(12)20)22-16-13(18)8-11(9-14(16)19)27(24,25)23-17-21-6-7-26-17/h2-10,22H,1H3,(H,21,23)
InChIKeyRIKGEWQKQHSWMD-UHFFFAOYSA-N
MW446.36 g/mol
LogP5.56
Rot. Bonds6

About 3,5-dichloro-4-[1-(2-fluorophenyl)ethylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

3,5-dichloro-4-[1-(2-fluorophenyl)ethylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 134585802) has the molecular formula C17H14Cl2FN3O2S2 and a molecular weight of 446.36 g/mol. Its IUPAC name is 3,5-dichloro-4-[1-(2-fluorophenyl)ethylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-4-[1-(2-fluorophenyl)ethylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID134585802
Molecular FormulaC17H14Cl2FN3O2S2
Molecular Weight446.36 g/mol
Exact Mass444.99
IUPAC Name3,5-dichloro-4-[1-(2-fluorophenyl)ethylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(Nc1c(Cl)cc(S(=O)(=O)Nc2nccs2)cc1Cl)c1ccccc1F
InChIInChI=1S/C17H14Cl2FN3O2S2/c1-10(12-4-2-3-5-15(12)20)22-16-13(18)8-11(9-14(16)19)27(24,25)23-17-21-6-7-26-17/h2-10,22H,1H3,(H,21,23)
InChIKeyRIKGEWQKQHSWMD-UHFFFAOYSA-N
XLogP5.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.36
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-difluoro-4-[1-(2-fluorophenyl)ethylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134585256
5-chloro-4-[[(1S)-1-(5-chloro-2-fluorophenyl)ethyl]amino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134586213
5-chloro-2-fluoro-4-[1-(2-fluorophenyl)propylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134585308
N-[1-(2-chlorophenyl)ethyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487830
5-chloro-2-fluoro-4-[[(1R)-1-isoquinolin-8-ylethyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134585183
3-chloro-4-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031898
3-amino-5-chloro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 29041502
4-[[(R)-amino(phenyl)methyl]amino]-3-chloro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134602272
5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 64608562
4-[[(R)-amino(pyridin-2-yl)methyl]amino]-3-chloro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134602241
2,6-dichloro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline
CID 106891498
4-chloro-3-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031796

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[1-(2-fluorophenyl)ethylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-4-[1-(2-fluorophenyl)ethylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 134585802) is 3,5-dichloro-4-[1-(2-fluorophenyl)ethylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-4-[1-(2-fluorophenyl)ethylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-4-[1-(2-fluorophenyl)ethylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is CC(Nc1c(Cl)cc(S(=O)(=O)Nc2nccs2)cc1Cl)c1ccccc1F.
What is the InChIKey of 3,5-dichloro-4-[1-(2-fluorophenyl)ethylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is RIKGEWQKQHSWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2FN3O2S2/c1-10(12-4-2-3-5-15(12)20)22-16-13(18)8-11(9-14(16)19)27(24,25)23-17-21-6-7-26-17/h2-10,22H,1H3,(H,21,23).
What are the key properties of 3,5-dichloro-4-[1-(2-fluorophenyl)ethylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
3,5-dichloro-4-[1-(2-fluorophenyl)ethylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 446.36 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[1-(2-fluorophenyl)ethylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 134585802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).