3-(aminomethyl)-5-chloro-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

C11H11ClFN3O2S2 — CID 106061068

IUPAC3-(aminomethyl)-5-chloro-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2cc(Cl)cc(CN)c2F)s1
InChIInChI=1S/C11H11ClFN3O2S2/c1-6-5-15-11(19-6)16-20(17,18)9-3-8(12)2-7(4-14)10(9)13/h2-3,5H,4,14H2,1H3,(H,15,16)
InChIKeyWBCMTIWWSSZOGG-UHFFFAOYSA-N
MW335.81 g/mol
LogP2.50
Rot. Bonds4

About 3-(aminomethyl)-5-chloro-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

3-(aminomethyl)-5-chloro-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 106061068) has the molecular formula C11H11ClFN3O2S2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 3-(aminomethyl)-5-chloro-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-chloro-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID106061068
Molecular FormulaC11H11ClFN3O2S2
Molecular Weight335.81 g/mol
Exact Mass335.00
IUPAC Name3-(aminomethyl)-5-chloro-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2cc(Cl)cc(CN)c2F)s1
InChIInChI=1S/C11H11ClFN3O2S2/c1-6-5-15-11(19-6)16-20(17,18)9-3-8(12)2-7(4-14)10(9)13/h2-3,5H,4,14H2,1H3,(H,15,16)
InChIKeyWBCMTIWWSSZOGG-UHFFFAOYSA-N
XLogP2.50
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-chloro-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-5-chloro-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 106061068) is 3-(aminomethyl)-5-chloro-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-chloro-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-chloro-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1cnc(NS(=O)(=O)c2cc(Cl)cc(CN)c2F)s1.
What is the InChIKey of 3-(aminomethyl)-5-chloro-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is WBCMTIWWSSZOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O2S2/c1-6-5-15-11(19-6)16-20(17,18)9-3-8(12)2-7(4-14)10(9)13/h2-3,5H,4,14H2,1H3,(H,15,16).
What are the key properties of 3-(aminomethyl)-5-chloro-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
3-(aminomethyl)-5-chloro-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 335.81 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-chloro-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 106061068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).