N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide

C16H18F3N3O2S2 — CID 90621953

IUPACN-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCN(c2nccs2)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H18F3N3O2S2/c17-16(18,19)13-3-5-14(6-4-13)26(23,24)21-10-12-2-1-8-22(11-12)15-20-7-9-25-15/h3-7,9,12,21H,1-2,8,10-11H2
InChIKeyVCXPWFQLESTAQP-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.36
Rot. Bonds5

About N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide

N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 90621953) has the molecular formula C16H18F3N3O2S2 and a molecular weight of 405.47 g/mol. Its IUPAC name is N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID90621953
Molecular FormulaC16H18F3N3O2S2
Molecular Weight405.47 g/mol
Exact Mass405.08
IUPAC NameN-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCCN(c2nccs2)C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H18F3N3O2S2/c17-16(18,19)13-3-5-14(6-4-13)26(23,24)21-10-12-2-1-8-22(11-12)15-20-7-9-25-15/h3-7,9,12,21H,1-2,8,10-11H2
InChIKeyVCXPWFQLESTAQP-UHFFFAOYSA-N
XLogP3.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90619684
4-fluoro-3-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621908
4-(3,5-dichlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 121145108
2,6-difluoro-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621915
3-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621892
5-chloro-2-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621931
2-ethoxy-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621923
3,5-dimethyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 90621895
methyl 2-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methylsulfamoyl]acetate
CID 90622007
4-chloro-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide
CID 139577516
4-methyl-N-[[1-[6-(trifluoromethyl)quinazolin-4-yl]piperidin-3-yl]methyl]benzenesulfonamide
CID 142582643
2-(4-methoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]ethanesulfonamide
CID 90621946

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide (CID 90621953) is N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCC1CCCN(c2nccs2)C1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VCXPWFQLESTAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2S2/c17-16(18,19)13-3-5-14(6-4-13)26(23,24)21-10-12-2-1-8-22(11-12)15-20-7-9-25-15/h3-7,9,12,21H,1-2,8,10-11H2.
What are the key properties of N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 405.47 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 90621953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).