N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-fluorophenyl]methanesulfonamide

C11H11ClFN3O2S2 — CID 168579813

IUPACN-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(F)cc1NCc1cnc(Cl)s1
InChIInChI=1S/C11H11ClFN3O2S2/c1-20(17,18)16-9-3-2-7(13)4-10(9)14-5-8-6-15-11(12)19-8/h2-4,6,14,16H,5H2,1H3
InChIKeyXYLVBHTVYMRIPG-UHFFFAOYSA-N
MW335.81 g/mol
LogP2.92
Rot. Bonds5

About N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-fluorophenyl]methanesulfonamide

N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-fluorophenyl]methanesulfonamide (PubChem CID 168579813) has the molecular formula C11H11ClFN3O2S2 and a molecular weight of 335.81 g/mol. Its IUPAC name is N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-fluorophenyl]methanesulfonamide
PubChem CID168579813
Molecular FormulaC11H11ClFN3O2S2
Molecular Weight335.81 g/mol
Exact Mass335.00
IUPAC NameN-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(F)cc1NCc1cnc(Cl)s1
InChIInChI=1S/C11H11ClFN3O2S2/c1-20(17,18)16-9-3-2-7(13)4-10(9)14-5-8-6-15-11(12)19-8/h2-4,6,14,16H,5H2,1H3
InChIKeyXYLVBHTVYMRIPG-UHFFFAOYSA-N
XLogP2.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-2-methylaniline
CID 168579588
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
CID 168579575
2-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-fluoro-1-N-(3-methoxypropyl)benzene-1,2-diamine
CID 168581737
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenol
CID 168580346
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(difluoromethoxy)-5-fluoroaniline
CID 168581269
[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluorophenyl]-phenylmethanone
CID 168580202
5-fluoro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941542
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoro-2-pyrazol-1-ylaniline
CID 168584069
5-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-4-methylaniline
CID 168581114
3-bromo-2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-fluoroaniline
CID 168581043
2-chloro-N-(5-fluoro-2-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427475
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-chloro-4-fluoroaniline
CID 63120671

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-fluorophenyl]methanesulfonamide (CID 168579813) is N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-fluorophenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(F)cc1NCc1cnc(Cl)s1.
What is the InChIKey of N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-fluorophenyl]methanesulfonamide?
The InChIKey is XYLVBHTVYMRIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O2S2/c1-20(17,18)16-9-3-2-7(13)4-10(9)14-5-8-6-15-11(12)19-8/h2-4,6,14,16H,5H2,1H3.
What are the key properties of N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-fluorophenyl]methanesulfonamide?
N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-fluorophenyl]methanesulfonamide has a molecular weight of 335.81 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 168579813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).