N-benzhydryl-4-[(2,4-dioxopyrimidin-1-yl)methyl]benzenesulfonamide

C24H21N3O4S — CID 67022074

IUPACN-benzhydryl-4-[(2,4-dioxopyrimidin-1-yl)methyl]benzenesulfonamide
SMILESO=c1ccn(Cc2ccc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)cc2)c(=O)[nH]1
InChIInChI=1S/C24H21N3O4S/c28-22-15-16-27(24(29)25-22)17-18-11-13-21(14-12-18)32(30,31)26-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-16,23,26H,17H2,(H,25,28,29)
InChIKeyRISSORZYEIANGE-UHFFFAOYSA-N
MW447.52 g/mol
LogP2.65
Rot. Bonds7

About N-benzhydryl-4-[(2,4-dioxopyrimidin-1-yl)methyl]benzenesulfonamide

N-benzhydryl-4-[(2,4-dioxopyrimidin-1-yl)methyl]benzenesulfonamide (PubChem CID 67022074) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is N-benzhydryl-4-[(2,4-dioxopyrimidin-1-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzhydryl-4-[(2,4-dioxopyrimidin-1-yl)methyl]benzenesulfonamide
PubChem CID67022074
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC NameN-benzhydryl-4-[(2,4-dioxopyrimidin-1-yl)methyl]benzenesulfonamide
SMILESO=c1ccn(Cc2ccc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)cc2)c(=O)[nH]1
InChIInChI=1S/C24H21N3O4S/c28-22-15-16-27(24(29)25-22)17-18-11-13-21(14-12-18)32(30,31)26-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-16,23,26H,17H2,(H,25,28,29)
InChIKeyRISSORZYEIANGE-UHFFFAOYSA-N
XLogP2.65
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 162668326
CID 162668326
CID 46635132
CID 46635132
CID 145957307
CID 145957307
CID 162672215
CID 162672215
CID 60156015
CID 60156015
CID 66553087
CID 66553087
CID 3238225
CID 3238225
CID 67021964
CID 67021964
CID 67022069
CID 67022069
CID 67022102
CID 67022102
CID 67022106
CID 67022106
CID 7196411
CID 7196411

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-[(2,4-dioxopyrimidin-1-yl)methyl]benzenesulfonamide?
The IUPAC name of N-benzhydryl-4-[(2,4-dioxopyrimidin-1-yl)methyl]benzenesulfonamide (CID 67022074) is N-benzhydryl-4-[(2,4-dioxopyrimidin-1-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-benzhydryl-4-[(2,4-dioxopyrimidin-1-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-benzhydryl-4-[(2,4-dioxopyrimidin-1-yl)methyl]benzenesulfonamide is O=c1ccn(Cc2ccc(S(=O)(=O)NC(c3ccccc3)c3ccccc3)cc2)c(=O)[nH]1.
What is the InChIKey of N-benzhydryl-4-[(2,4-dioxopyrimidin-1-yl)methyl]benzenesulfonamide?
The InChIKey is RISSORZYEIANGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c28-22-15-16-27(24(29)25-22)17-18-11-13-21(14-12-18)32(30,31)26-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-16,23,26H,17H2,(H,25,28,29).
What are the key properties of N-benzhydryl-4-[(2,4-dioxopyrimidin-1-yl)methyl]benzenesulfonamide?
N-benzhydryl-4-[(2,4-dioxopyrimidin-1-yl)methyl]benzenesulfonamide has a molecular weight of 447.52 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-[(2,4-dioxopyrimidin-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 67022074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).