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

C14H15ClF3N3O4S3 — CID 87546419

IUPAC3-chloro-2-methyl-N-[4-[2-[methyl(trifluoromethylsulfonyl)amino]ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCN(C)S(=O)(=O)C(F)(F)F)cs1
InChIInChI=1S/C14H15ClF3N3O4S3/c1-9-11(15)4-3-5-12(9)27(22,23)20-13-19-10(8-26-13)6-7-21(2)28(24,25)14(16,17)18/h3-5,8H,6-7H2,1-2H3,(H,19,20)
InChIKeyAKQKZSLUWUYCND-UHFFFAOYSA-N
MW477.94 g/mol
LogP3.23
Rot. Bonds7

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

3-chloro-2-methyl-N-[4-[2-[methyl(trifluoromethylsulfonyl)amino]ethyl]-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 87546419) has the molecular formula C14H15ClF3N3O4S3 and a molecular weight of 477.94 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[4-[2-[methyl(trifluoromethylsulfonyl)amino]ethyl]-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[4-[2-[methyl(trifluoromethylsulfonyl)amino]ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID87546419
Molecular FormulaC14H15ClF3N3O4S3
Molecular Weight477.94 g/mol
Exact Mass476.99
IUPAC Name3-chloro-2-methyl-N-[4-[2-[methyl(trifluoromethylsulfonyl)amino]ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCN(C)S(=O)(=O)C(F)(F)F)cs1
InChIInChI=1S/C14H15ClF3N3O4S3/c1-9-11(15)4-3-5-12(9)27(22,23)20-13-19-10(8-26-13)6-7-21(2)28(24,25)14(16,17)18/h3-5,8H,6-7H2,1-2H3,(H,19,20)
InChIKeyAKQKZSLUWUYCND-UHFFFAOYSA-N
XLogP3.23
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.94
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[4-[2-[methyl(trifluoromethylsulfonyl)amino]ethyl]-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[4-[2-[methyl(trifluoromethylsulfonyl)amino]ethyl]-1,3-thiazol-2-yl]benzenesulfonamide (CID 87546419) is 3-chloro-2-methyl-N-[4-[2-[methyl(trifluoromethylsulfonyl)amino]ethyl]-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[4-[2-[methyl(trifluoromethylsulfonyl)amino]ethyl]-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[4-[2-[methyl(trifluoromethylsulfonyl)amino]ethyl]-1,3-thiazol-2-yl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCN(C)S(=O)(=O)C(F)(F)F)cs1.
What is the InChIKey of 3-chloro-2-methyl-N-[4-[2-[methyl(trifluoromethylsulfonyl)amino]ethyl]-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is AKQKZSLUWUYCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3O4S3/c1-9-11(15)4-3-5-12(9)27(22,23)20-13-19-10(8-26-13)6-7-21(2)28(24,25)14(16,17)18/h3-5,8H,6-7H2,1-2H3,(H,19,20).
What are the key properties of 3-chloro-2-methyl-N-[4-[2-[methyl(trifluoromethylsulfonyl)amino]ethyl]-1,3-thiazol-2-yl]benzenesulfonamide?
3-chloro-2-methyl-N-[4-[2-[methyl(trifluoromethylsulfonyl)amino]ethyl]-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 477.94 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[4-[2-[methyl(trifluoromethylsulfonyl)amino]ethyl]-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 87546419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).