5-chloro-N-(5-chloro-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzenesulfonamide

C10H6Cl2F2N2O2S2 — CID 134429830

IUPAC5-chloro-N-(5-chloro-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cc(Cl)c(F)cc2F)sc1Cl
InChIInChI=1S/C10H6Cl2F2N2O2S2/c1-4-9(12)19-10(15-4)16-20(17,18)8-2-5(11)6(13)3-7(8)14/h2-3H,1H3,(H,15,16)
InChIKeyYSJGQQGMPOFARA-UHFFFAOYSA-N
MW359.21 g/mol
LogP3.84
Rot. Bonds3

About 5-chloro-N-(5-chloro-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzenesulfonamide

5-chloro-N-(5-chloro-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzenesulfonamide (PubChem CID 134429830) has the molecular formula C10H6Cl2F2N2O2S2 and a molecular weight of 359.21 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(5-chloro-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzenesulfonamide
PubChem CID134429830
Molecular FormulaC10H6Cl2F2N2O2S2
Molecular Weight359.21 g/mol
Exact Mass357.92
IUPAC Name5-chloro-N-(5-chloro-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cc(Cl)c(F)cc2F)sc1Cl
InChIInChI=1S/C10H6Cl2F2N2O2S2/c1-4-9(12)19-10(15-4)16-20(17,18)8-2-5(11)6(13)3-7(8)14/h2-3H,1H3,(H,15,16)
InChIKeyYSJGQQGMPOFARA-UHFFFAOYSA-N
XLogP3.84
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of 5-chloro-N-(5-chloro-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzenesulfonamide (CID 134429830) is 5-chloro-N-(5-chloro-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(5-chloro-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(5-chloro-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzenesulfonamide is Cc1nc(NS(=O)(=O)c2cc(Cl)c(F)cc2F)sc1Cl.
What is the InChIKey of 5-chloro-N-(5-chloro-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzenesulfonamide?
The InChIKey is YSJGQQGMPOFARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F2N2O2S2/c1-4-9(12)19-10(15-4)16-20(17,18)8-2-5(11)6(13)3-7(8)14/h2-3H,1H3,(H,15,16).
What are the key properties of 5-chloro-N-(5-chloro-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzenesulfonamide?
5-chloro-N-(5-chloro-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzenesulfonamide has a molecular weight of 359.21 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-chloro-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 134429830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).