N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide

C17H13F3N2O3S2 — CID 91625708

IUPACN-[(2-thiophen-3-yl-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1ccnc(-c2ccsc2)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H13F3N2O3S2/c18-17(19,20)25-14-1-3-15(4-2-14)27(23,24)22-10-12-5-7-21-16(9-12)13-6-8-26-11-13/h1-9,11,22H,10H2
InChIKeyGLIXTFOZVZGCQQ-UHFFFAOYSA-N
MW414.43 g/mol
LogP4.19
Rot. Bonds6

About N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 91625708) has the molecular formula C17H13F3N2O3S2 and a molecular weight of 414.43 g/mol. Its IUPAC name is N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-thiophen-3-yl-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID91625708
Molecular FormulaC17H13F3N2O3S2
Molecular Weight414.43 g/mol
Exact Mass414.03
IUPAC NameN-[(2-thiophen-3-yl-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1ccnc(-c2ccsc2)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H13F3N2O3S2/c18-17(19,20)25-14-1-3-15(4-2-14)27(23,24)22-10-12-5-7-21-16(9-12)13-6-8-26-11-13/h1-9,11,22H,10H2
InChIKeyGLIXTFOZVZGCQQ-UHFFFAOYSA-N
XLogP4.19
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 91625708) is N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCc1ccnc(-c2ccsc2)c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is GLIXTFOZVZGCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3S2/c18-17(19,20)25-14-1-3-15(4-2-14)27(23,24)22-10-12-5-7-21-16(9-12)13-6-8-26-11-13/h1-9,11,22H,10H2.
What are the key properties of N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 414.43 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 91625708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).