5-[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-ylnaphthalene-2-sulfonamide

C25H18F3N5O2S — CID 71586705

IUPAC5-[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-ylnaphthalene-2-sulfonamide
SMILESCn1cncc1-c1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)Nc3ccncn3)ccc12
InChIInChI=1S/C25H18F3N5O2S/c1-33-15-30-13-23(33)22-12-17(25(26,27)28)5-7-21(22)20-4-2-3-16-11-18(6-8-19(16)20)36(34,35)32-24-9-10-29-14-31-24/h2-15H,1H3,(H,29,31,32)
InChIKeyFCVTWPWBHITERP-UHFFFAOYSA-N
MW509.51 g/mol
LogP5.52
Rot. Bonds5

About 5-[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-ylnaphthalene-2-sulfonamide

5-[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-ylnaphthalene-2-sulfonamide (PubChem CID 71586705) has the molecular formula C25H18F3N5O2S and a molecular weight of 509.51 g/mol. Its IUPAC name is 5-[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-ylnaphthalene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-ylnaphthalene-2-sulfonamide
PubChem CID71586705
Molecular FormulaC25H18F3N5O2S
Molecular Weight509.51 g/mol
Exact Mass509.11
IUPAC Name5-[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-ylnaphthalene-2-sulfonamide
SMILESCn1cncc1-c1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)Nc3ccncn3)ccc12
InChIInChI=1S/C25H18F3N5O2S/c1-33-15-30-13-23(33)22-12-17(25(26,27)28)5-7-21(22)20-4-2-3-16-11-18(6-8-19(16)20)36(34,35)32-24-9-10-29-14-31-24/h2-15H,1H3,(H,29,31,32)
InChIKeyFCVTWPWBHITERP-UHFFFAOYSA-N
XLogP5.52
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.51
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-pyrimidin-4-yl-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)-4-(trifluoromethyl)phenyl]naphthalene-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 86687370
(4S)-4-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide
CID 126650163
5-[2-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]naphthalene-2-sulfonic acid
CID 86687364
4-cyano-1-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
CID 86687515
8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-1,7-naphthyridine-3-sulfonamide
CID 86687550
4-[2-chloro-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide
CID 142744232
(4R)-4-[2-(5-fluoro-2-pyridinyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-3,4-dihydro-2H-chromene-7-sulfonamide
CID 126668927
4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 71711554
N-(5-fluoropyrimidin-4-yl)-1-[2-methoxy-4-(trifluoromethyl)phenyl]isoquinoline-6-sulfonamide
CID 71585636
5-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
CID 86687351
5-[2-chloro-4-(trifluoromethyl)phenyl]naphthalene-2-sulfonate
CID 152781705
1-methyl-3-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-[5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]indole-6-sulfonamide
CID 71607928

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-ylnaphthalene-2-sulfonamide?
The IUPAC name of 5-[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-ylnaphthalene-2-sulfonamide (CID 71586705) is 5-[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-ylnaphthalene-2-sulfonamide.
What is the SMILES notation for 5-[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-ylnaphthalene-2-sulfonamide?
The canonical SMILES for 5-[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-ylnaphthalene-2-sulfonamide is Cn1cncc1-c1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)Nc3ccncn3)ccc12.
What is the InChIKey of 5-[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-ylnaphthalene-2-sulfonamide?
The InChIKey is FCVTWPWBHITERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O2S/c1-33-15-30-13-23(33)22-12-17(25(26,27)28)5-7-21(22)20-4-2-3-16-11-18(6-8-19(16)20)36(34,35)32-24-9-10-29-14-31-24/h2-15H,1H3,(H,29,31,32).
What are the key properties of 5-[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-ylnaphthalene-2-sulfonamide?
5-[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-ylnaphthalene-2-sulfonamide has a molecular weight of 509.51 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methylimidazol-4-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-ylnaphthalene-2-sulfonamide is sourced from PubChem (CID 71586705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).