5-amino-3-chloro-2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide

C11H11ClFN3O2S2 — CID 61126822

IUPAC5-amino-3-chloro-2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1csc(CNS(=O)(=O)c2cc(N)cc(Cl)c2F)n1
InChIInChI=1S/C11H11ClFN3O2S2/c1-6-5-19-10(16-6)4-15-20(17,18)9-3-7(14)2-8(12)11(9)13/h2-3,5,15H,4,14H2,1H3
InChIKeyGDYHTEZMBWGCBA-UHFFFAOYSA-N
MW335.81 g/mol
LogP2.30
Rot. Bonds4

About 5-amino-3-chloro-2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide

5-amino-3-chloro-2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 61126822) has the molecular formula C11H11ClFN3O2S2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 5-amino-3-chloro-2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
PubChem CID61126822
Molecular FormulaC11H11ClFN3O2S2
Molecular Weight335.81 g/mol
Exact Mass335.00
IUPAC Name5-amino-3-chloro-2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1csc(CNS(=O)(=O)c2cc(N)cc(Cl)c2F)n1
InChIInChI=1S/C11H11ClFN3O2S2/c1-6-5-19-10(16-6)4-15-20(17,18)9-3-7(14)2-8(12)11(9)13/h2-3,5,15H,4,14H2,1H3
InChIKeyGDYHTEZMBWGCBA-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1-sulfonamide
CID 23603416
N-(3-chloro-4-fluorophenyl)-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 50835792
3-chloro-2-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 39630571
5-amino-3-chloro-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43257979
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 43415361
2-chloro-N-(3-chloro-2-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 43456203
2-chloro-N-(5-chloro-2-fluorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 43456254
2-fluoro-5-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 43717695
4-chloro-2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 47017073
3-chloro-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 47044573
2-chloro-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 47044582
3-chloro-4-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 47046059

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (CID 61126822) is 5-amino-3-chloro-2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is Cc1csc(CNS(=O)(=O)c2cc(N)cc(Cl)c2F)n1.
What is the InChIKey of 5-amino-3-chloro-2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is GDYHTEZMBWGCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O2S2/c1-6-5-19-10(16-6)4-15-20(17,18)9-3-7(14)2-8(12)11(9)13/h2-3,5,15H,4,14H2,1H3.
What are the key properties of 5-amino-3-chloro-2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
5-amino-3-chloro-2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 335.81 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 61126822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).