N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide

C16H18F3N3O2S — CID 113020292

IUPACN-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C16H18F3N3O2S/c1-2-3-10-25(23,24)22-14-8-9-15(20-11-14)21-13-6-4-12(5-7-13)16(17,18)19/h4-9,11,22H,2-3,10H2,1H3,(H,20,21)
InChIKeyGYNVCLPENIRDSO-UHFFFAOYSA-N
MW373.40 g/mol
LogP4.39
Rot. Bonds7

About N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide

N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide (PubChem CID 113020292) has the molecular formula C16H18F3N3O2S and a molecular weight of 373.40 g/mol. Its IUPAC name is N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide
PubChem CID113020292
Molecular FormulaC16H18F3N3O2S
Molecular Weight373.40 g/mol
Exact Mass373.11
IUPAC NameN-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C16H18F3N3O2S/c1-2-3-10-25(23,24)22-14-8-9-15(20-11-14)21-13-6-4-12(5-7-13)16(17,18)19/h4-9,11,22H,2-3,10H2,1H3,(H,20,21)
InChIKeyGYNVCLPENIRDSO-UHFFFAOYSA-N
XLogP4.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propane-1-sulfonamide
CID 113020236
N-[6-(3,4-difluoroanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113023261
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113018948
N-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113017701
N-[6-(4-bromo-2-methylanilino)-3-pyridinyl]butane-1-sulfonamide
CID 113021517
N-(6-chloro-3-pyridinyl)butane-1-sulfonamide
CID 107095360
N-[6-(4-bromoanilino)-3-pyridinyl]ethanesulfonamide
CID 113019236
N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113021072
N-[6-(3-chloroanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113018556
N-[5-(cyclopropylamino)-2-pyridinyl]butane-1-sulfonamide
CID 113023763
N-[5-(2-methylanilino)-2-pyridinyl]butane-1-sulfonamide
CID 113031365
N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113031592

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide?
The IUPAC name of N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide (CID 113020292) is N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide.
What is the SMILES notation for N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide?
The canonical SMILES for N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide?
The InChIKey is GYNVCLPENIRDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2S/c1-2-3-10-25(23,24)22-14-8-9-15(20-11-14)21-13-6-4-12(5-7-13)16(17,18)19/h4-9,11,22H,2-3,10H2,1H3,(H,20,21).
What are the key properties of N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide?
N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide has a molecular weight of 373.40 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]butane-1-sulfonamide is sourced from PubChem (CID 113020292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).