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

C13H13ClF3N3O4S3 — CID 87545210

IUPAC3-chloro-2-methyl-N-[4-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCNS(=O)(=O)C(F)(F)F)cs1
InChIInChI=1S/C13H13ClF3N3O4S3/c1-8-10(14)3-2-4-11(8)26(21,22)20-12-19-9(7-25-12)5-6-18-27(23,24)13(15,16)17/h2-4,7,18H,5-6H2,1H3,(H,19,20)
InChIKeyUZWQRKFUNIGEEO-UHFFFAOYSA-N
MW463.91 g/mol
LogP2.89
Rot. Bonds7

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

3-chloro-2-methyl-N-[4-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 87545210) has the molecular formula C13H13ClF3N3O4S3 and a molecular weight of 463.91 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[4-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[4-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID87545210
Molecular FormulaC13H13ClF3N3O4S3
Molecular Weight463.91 g/mol
Exact Mass462.97
IUPAC Name3-chloro-2-methyl-N-[4-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCNS(=O)(=O)C(F)(F)F)cs1
InChIInChI=1S/C13H13ClF3N3O4S3/c1-8-10(14)3-2-4-11(8)26(21,22)20-12-19-9(7-25-12)5-6-18-27(23,24)13(15,16)17/h2-4,7,18H,5-6H2,1H3,(H,19,20)
InChIKeyUZWQRKFUNIGEEO-UHFFFAOYSA-N
XLogP2.89
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.91
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[4-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[4-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide (CID 87545210) is 3-chloro-2-methyl-N-[4-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[4-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[4-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCNS(=O)(=O)C(F)(F)F)cs1.
What is the InChIKey of 3-chloro-2-methyl-N-[4-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is UZWQRKFUNIGEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3O4S3/c1-8-10(14)3-2-4-11(8)26(21,22)20-12-19-9(7-25-12)5-6-18-27(23,24)13(15,16)17/h2-4,7,18H,5-6H2,1H3,(H,19,20).
What are the key properties of 3-chloro-2-methyl-N-[4-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide?
3-chloro-2-methyl-N-[4-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 463.91 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[4-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 87545210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).