N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]cyclohexanesulfonamide

C17H20F3N3O4S3 — CID 66610409

IUPACN-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]cyclohexanesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cnc(CNS(=O)(=O)C(F)(F)F)s2)cc1)C1CCCCC1
InChIInChI=1S/C17H20F3N3O4S3/c18-17(19,20)30(26,27)22-11-16-21-10-15(28-16)12-6-8-13(9-7-12)23-29(24,25)14-4-2-1-3-5-14/h6-10,14,22-23H,1-5,11H2
InChIKeyLTNAJXKWKJSNSK-UHFFFAOYSA-N
MW483.56 g/mol
LogP3.82
Rot. Bonds7

About N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]cyclohexanesulfonamide

N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]cyclohexanesulfonamide (PubChem CID 66610409) has the molecular formula C17H20F3N3O4S3 and a molecular weight of 483.56 g/mol. Its IUPAC name is N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]cyclohexanesulfonamide
PubChem CID66610409
Molecular FormulaC17H20F3N3O4S3
Molecular Weight483.56 g/mol
Exact Mass483.06
IUPAC NameN-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]cyclohexanesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cnc(CNS(=O)(=O)C(F)(F)F)s2)cc1)C1CCCCC1
InChIInChI=1S/C17H20F3N3O4S3/c18-17(19,20)30(26,27)22-11-16-21-10-15(28-16)12-6-8-13(9-7-12)23-29(24,25)14-4-2-1-3-5-14/h6-10,14,22-23H,1-5,11H2
InChIKeyLTNAJXKWKJSNSK-UHFFFAOYSA-N
XLogP3.82
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]cyclohexanesulfonamide?
The IUPAC name of N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]cyclohexanesulfonamide (CID 66610409) is N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]cyclohexanesulfonamide?
The canonical SMILES for N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]cyclohexanesulfonamide is O=S(=O)(Nc1ccc(-c2cnc(CNS(=O)(=O)C(F)(F)F)s2)cc1)C1CCCCC1.
What is the InChIKey of N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]cyclohexanesulfonamide?
The InChIKey is LTNAJXKWKJSNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O4S3/c18-17(19,20)30(26,27)22-11-16-21-10-15(28-16)12-6-8-13(9-7-12)23-29(24,25)14-4-2-1-3-5-14/h6-10,14,22-23H,1-5,11H2.
What are the key properties of N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]cyclohexanesulfonamide?
N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]cyclohexanesulfonamide has a molecular weight of 483.56 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(trifluoromethylsulfonylamino)methyl]-1,3-thiazol-5-yl]phenyl]cyclohexanesulfonamide is sourced from PubChem (CID 66610409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).