N-[3-pyridazin-3-yl-2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide

C23H17F3N4O3S2 — CID 140883564

IUPACN-[3-pyridazin-3-yl-2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)c(-c2cccnn2)c1-c1nccs1)c1ccc2c(c1)OCCC2
InChIInChI=1S/C23H17F3N4O3S2/c24-23(25,26)16-7-8-18(21(22-27-10-12-34-22)20(16)17-4-1-9-28-29-17)30-35(31,32)15-6-5-14-3-2-11-33-19(14)13-15/h1,4-10,12-13,30H,2-3,11H2
InChIKeyFTPQUJVQLNCHGX-UHFFFAOYSA-N
MW518.54 g/mol
LogP5.41
Rot. Bonds5

About N-[3-pyridazin-3-yl-2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide

N-[3-pyridazin-3-yl-2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide (PubChem CID 140883564) has the molecular formula C23H17F3N4O3S2 and a molecular weight of 518.54 g/mol. Its IUPAC name is N-[3-pyridazin-3-yl-2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide.

Molecular Properties

Compound NameN-[3-pyridazin-3-yl-2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide
PubChem CID140883564
Molecular FormulaC23H17F3N4O3S2
Molecular Weight518.54 g/mol
Exact Mass518.07
IUPAC NameN-[3-pyridazin-3-yl-2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)c(-c2cccnn2)c1-c1nccs1)c1ccc2c(c1)OCCC2
InChIInChI=1S/C23H17F3N4O3S2/c24-23(25,26)16-7-8-18(21(22-27-10-12-34-22)20(16)17-4-1-9-28-29-17)30-35(31,32)15-6-5-14-3-2-11-33-19(14)13-15/h1,4-10,12-13,30H,2-3,11H2
InChIKeyFTPQUJVQLNCHGX-UHFFFAOYSA-N
XLogP5.41
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.54
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1148581
N-(3,4-dihydro-2H-chromen-7-ylsulfanyl)-6-fluoropyridin-2-amine;2-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 145268025
N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705681
N-[2-(1,3-thiazol-2-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 49460202
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 30158260
N-[2-(trifluoromethyl)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 166375644
N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 45272245
6-[3-(2,3-dihydro-1-benzofuran-6-ylsulfonylamino)-2,6-difluorophenyl]-7-fluoro-N-methyl-2H-indazole-3-carboxamide
CID 155193724
N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 49460186
(4R)-4-[2-propyl-4-(trifluoromethyl)phenyl]-N-pyridazin-3-yl-3,4-dihydro-2H-chromene-7-sulfonamide
CID 126668384
N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 90563998
N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 27555241

Frequently Asked Questions

What is the IUPAC name of N-[3-pyridazin-3-yl-2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?
The IUPAC name of N-[3-pyridazin-3-yl-2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide (CID 140883564) is N-[3-pyridazin-3-yl-2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide.
What is the SMILES notation for N-[3-pyridazin-3-yl-2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?
The canonical SMILES for N-[3-pyridazin-3-yl-2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide is O=S(=O)(Nc1ccc(C(F)(F)F)c(-c2cccnn2)c1-c1nccs1)c1ccc2c(c1)OCCC2.
What is the InChIKey of N-[3-pyridazin-3-yl-2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?
The InChIKey is FTPQUJVQLNCHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O3S2/c24-23(25,26)16-7-8-18(21(22-27-10-12-34-22)20(16)17-4-1-9-28-29-17)30-35(31,32)15-6-5-14-3-2-11-33-19(14)13-15/h1,4-10,12-13,30H,2-3,11H2.
What are the key properties of N-[3-pyridazin-3-yl-2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide?
N-[3-pyridazin-3-yl-2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide has a molecular weight of 518.54 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-pyridazin-3-yl-2-(1,3-thiazol-2-yl)-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromene-7-sulfonamide is sourced from PubChem (CID 140883564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).