(1S)-1-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide

C25H19F3N4O2S — CID 142424073

IUPAC(1S)-1-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1ccc2c(c1)CC[C@@H]2c1ccc(C(F)(F)F)cc1-c1ccncc1
InChIInChI=1S/C25H19F3N4O2S/c26-25(27,28)18-3-6-22(23(15-18)16-8-12-29-13-9-16)21-5-2-17-14-19(4-7-20(17)21)35(33,34)32-24-30-10-1-11-31-24/h1,3-4,6-15,21H,2,5H2,(H,30,31,32)/t21-/m0/s1
InChIKeyLJEYJNYADLBOBZ-NRFANRHFSA-N
MW496.51 g/mol
LogP5.44
Rot. Bonds5

About (1S)-1-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide

(1S)-1-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 142424073) has the molecular formula C25H19F3N4O2S and a molecular weight of 496.51 g/mol. Its IUPAC name is (1S)-1-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound Name(1S)-1-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID142424073
Molecular FormulaC25H19F3N4O2S
Molecular Weight496.51 g/mol
Exact Mass496.12
IUPAC Name(1S)-1-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1ncccn1)c1ccc2c(c1)CC[C@@H]2c1ccc(C(F)(F)F)cc1-c1ccncc1
InChIInChI=1S/C25H19F3N4O2S/c26-25(27,28)18-3-6-22(23(15-18)16-8-12-29-13-9-16)21-5-2-17-14-19(4-7-20(17)21)35(33,34)32-24-30-10-1-11-31-24/h1,3-4,6-15,21H,2,5H2,(H,30,31,32)/t21-/m0/s1
InChIKeyLJEYJNYADLBOBZ-NRFANRHFSA-N
XLogP5.44
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.51
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 142424020
(1S)-1-[2-(2,4-difluorophenyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 154031714
N-(6-fluoro-2-pyridinyl)-1-[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 154031718
(1S)-N-(6-fluoro-2-pyridinyl)-1-[2-(4-methoxyphenyl)-4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 154031696
1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-N-pyridin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 135324906
(1S)-1-[2-(2,4-difluorophenyl)-4-(trifluoromethyl)phenyl]-N-(6-fluoro-2-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 135325077
(1S)-1-methyl-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 142424100
N-(3,5-difluoro-2-pyridinyl)-1-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 154031669
(4R)-4-[2-(2-methyl-1,3-oxazol-4-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-3,4-dihydro-2H-chromene-7-sulfonamide
CID 126668897
(1S)-1-[2-(4-chlorophenyl)-4-(trifluoromethyl)phenyl]-N-[(2,4-dimethoxyphenyl)methyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 154031706
4-[2-(2-oxopyrrolidin-1-yl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-3,4-dihydro-2H-chromene-7-sulfonamide
CID 126650172
4-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-3,4-dihydro-2H-chromene-7-sulfonamide
CID 135184672

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of (1S)-1-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide (CID 142424073) is (1S)-1-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for (1S)-1-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for (1S)-1-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide is O=S(=O)(Nc1ncccn1)c1ccc2c(c1)CC[C@@H]2c1ccc(C(F)(F)F)cc1-c1ccncc1.
What is the InChIKey of (1S)-1-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is LJEYJNYADLBOBZ-NRFANRHFSA-N. The full InChI is InChI=1S/C25H19F3N4O2S/c26-25(27,28)18-3-6-22(23(15-18)16-8-12-29-13-9-16)21-5-2-17-14-19(4-7-20(17)21)35(33,34)32-24-30-10-1-11-31-24/h1,3-4,6-15,21H,2,5H2,(H,30,31,32)/t21-/m0/s1.
What are the key properties of (1S)-1-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide?
(1S)-1-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 496.51 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 142424073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).