4-(4-oxoquinazolin-3-yl)-N-pyrimidin-2-ylbenzenesulfonamide

C18H13N5O3S — CID 7718534

IUPAC4-(4-oxoquinazolin-3-yl)-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=c1c2ccccc2ncn1-c1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C18H13N5O3S/c24-17-15-4-1-2-5-16(15)21-12-23(17)13-6-8-14(9-7-13)27(25,26)22-18-19-10-3-11-20-18/h1-12H,(H,19,20,22)
InChIKeyBHVLIOSLXFURJP-UHFFFAOYSA-N
MW379.40 g/mol
LogP1.98
Rot. Bonds4

About 4-(4-oxoquinazolin-3-yl)-N-pyrimidin-2-ylbenzenesulfonamide

4-(4-oxoquinazolin-3-yl)-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 7718534) has the molecular formula C18H13N5O3S and a molecular weight of 379.40 g/mol. Its IUPAC name is 4-(4-oxoquinazolin-3-yl)-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-oxoquinazolin-3-yl)-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID7718534
Molecular FormulaC18H13N5O3S
Molecular Weight379.40 g/mol
Exact Mass379.07
IUPAC Name4-(4-oxoquinazolin-3-yl)-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=c1c2ccccc2ncn1-c1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C18H13N5O3S/c24-17-15-4-1-2-5-16(15)21-12-23(17)13-6-8-14(9-7-13)27(25,26)22-18-19-10-3-11-20-18/h1-12H,(H,19,20,22)
InChIKeyBHVLIOSLXFURJP-UHFFFAOYSA-N
XLogP1.98
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(dimethylamino)phenyl]quinazolin-4-one
CID 7719422
4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
4-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 669150
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
3-[3,5-bis(trifluoromethyl)phenyl]quinazolin-4-one
CID 3116934
2-fluoro-3-phenylquinazolin-4-one;3-phenylquinazolin-4-one
CID 118168715
4-[(4-oxo-3H-quinazolin-2-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 155814648
N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide
CID 24513988
4-(4-oxoquinazolin-3-yl)benzene-1,2-dicarbonitrile
CID 683491
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 29368993

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxoquinazolin-3-yl)-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 4-(4-oxoquinazolin-3-yl)-N-pyrimidin-2-ylbenzenesulfonamide (CID 7718534) is 4-(4-oxoquinazolin-3-yl)-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(4-oxoquinazolin-3-yl)-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(4-oxoquinazolin-3-yl)-N-pyrimidin-2-ylbenzenesulfonamide is O=c1c2ccccc2ncn1-c1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 4-(4-oxoquinazolin-3-yl)-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is BHVLIOSLXFURJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O3S/c24-17-15-4-1-2-5-16(15)21-12-23(17)13-6-8-14(9-7-13)27(25,26)22-18-19-10-3-11-20-18/h1-12H,(H,19,20,22).
What are the key properties of 4-(4-oxoquinazolin-3-yl)-N-pyrimidin-2-ylbenzenesulfonamide?
4-(4-oxoquinazolin-3-yl)-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 379.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxoquinazolin-3-yl)-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 7718534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).