4-fluoro-N-[(2S)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide

C22H24FN5O4S — CID 135960547

IUPAC4-fluoro-N-[(2S)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C22H24FN5O4S/c1-15(26-33(31,32)17-8-6-16(23)7-9-17)22(30)28-12-10-27(11-13-28)14-20-24-19-5-3-2-4-18(19)21(29)25-20/h2-9,15,26H,10-14H2,1H3,(H,24,25,29)/t15-/m0/s1
InChIKeyDMYXVIABOZNFHF-HNNXBMFYSA-N
MW473.53 g/mol
LogP1.07
Rot. Bonds6

About 4-fluoro-N-[(2S)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide

4-fluoro-N-[(2S)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide (PubChem CID 135960547) has the molecular formula C22H24FN5O4S and a molecular weight of 473.53 g/mol. Its IUPAC name is 4-fluoro-N-[(2S)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(2S)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide
PubChem CID135960547
Molecular FormulaC22H24FN5O4S
Molecular Weight473.53 g/mol
Exact Mass473.15
IUPAC Name4-fluoro-N-[(2S)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C22H24FN5O4S/c1-15(26-33(31,32)17-8-6-16(23)7-9-17)22(30)28-12-10-27(11-13-28)14-20-24-19-5-3-2-4-18(19)21(29)25-20/h2-9,15,26H,10-14H2,1H3,(H,24,25,29)/t15-/m0/s1
InChIKeyDMYXVIABOZNFHF-HNNXBMFYSA-N
XLogP1.07
TPSA115.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-N-[(2S)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-3H-quinazolin-4-one
CID 135799534
2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135875306
N-[(2R)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-2-yl]benzamide
CID 135881108
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 4037453
N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 84912637
4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 93417335
2-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135875305
N-[(2S)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 55935351
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135429215
2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
CID 135802761
2-[[4-[2-(4-propan-2-ylphenoxy)acetyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135956158

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2S)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(2S)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide (CID 135960547) is 4-fluoro-N-[(2S)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(2S)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(2S)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of 4-fluoro-N-[(2S)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide?
The InChIKey is DMYXVIABOZNFHF-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24FN5O4S/c1-15(26-33(31,32)17-8-6-16(23)7-9-17)22(30)28-12-10-27(11-13-28)14-20-24-19-5-3-2-4-18(19)21(29)25-20/h2-9,15,26H,10-14H2,1H3,(H,24,25,29)/t15-/m0/s1.
What are the key properties of 4-fluoro-N-[(2S)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide?
4-fluoro-N-[(2S)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide has a molecular weight of 473.53 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2S)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 135960547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).