N-benzhydryl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

C19H19N3O4S — CID 7196411

IUPACN-benzhydryl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C19H19N3O4S/c1-21-13-16(18(23)22(2)19(21)24)27(25,26)20-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,17,20H,1-2H3
InChIKeyQAHCDDDQJYHCAD-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.15
Rot. Bonds5

About N-benzhydryl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-benzhydryl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 7196411) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-benzhydryl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-benzhydryl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID7196411
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-benzhydryl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCn1cc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C19H19N3O4S/c1-21-13-16(18(23)22(2)19(21)24)27(25,26)20-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,17,20H,1-2H3
InChIKeyQAHCDDDQJYHCAD-UHFFFAOYSA-N
XLogP1.15
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-benzhydryl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 7196411) is N-benzhydryl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-benzhydryl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-benzhydryl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is Cn1cc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of N-benzhydryl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is QAHCDDDQJYHCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-21-13-16(18(23)22(2)19(21)24)27(25,26)20-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,17,20H,1-2H3.
What are the key properties of N-benzhydryl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-benzhydryl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 385.45 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 7196411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).