1-(4-chlorophenyl)-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]methanesulfonamide

C17H16ClN3O3S — CID 110352103

IUPAC1-(4-chlorophenyl)-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]methanesulfonamide
SMILESCn1c(CNS(=O)(=O)Cc2ccc(Cl)cc2)nc2ccccc2c1=O
InChIInChI=1S/C17H16ClN3O3S/c1-21-16(20-15-5-3-2-4-14(15)17(21)22)10-19-25(23,24)11-12-6-8-13(18)9-7-12/h2-9,19H,10-11H2,1H3
InChIKeyZEHUOODOLKDCDF-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.21
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]methanesulfonamide

1-(4-chlorophenyl)-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]methanesulfonamide (PubChem CID 110352103) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]methanesulfonamide
PubChem CID110352103
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC Name1-(4-chlorophenyl)-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]methanesulfonamide
SMILESCn1c(CNS(=O)(=O)Cc2ccc(Cl)cc2)nc2ccccc2c1=O
InChIInChI=1S/C17H16ClN3O3S/c1-21-16(20-15-5-3-2-4-14(15)17(21)22)10-19-25(23,24)11-12-6-8-13(18)9-7-12/h2-9,19H,10-11H2,1H3
InChIKeyZEHUOODOLKDCDF-UHFFFAOYSA-N
XLogP2.21
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-[(3-methyl-4-oxoquinazolin-2-yl)methyl]urea
CID 110352028
4-fluoro-2-methyl-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzenesulfonamide
CID 110352078
3-methyl-2-[[4-[4-[(3-methyl-4-oxoquinazolin-2-yl)methylamino]phenyl]anilino]methyl]quinazolin-4-one
CID 139248827
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
2-(bromomethyl)-3-methylquinazolin-4-one
CID 15707759
methyl N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]carbamate
CID 110352045
1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]methanesulfonamide
CID 110714894
ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
CID 91302678
2-(aminomethyl)-3-methylquinazolin-4-one;hydrochloride
CID 75537334
3,4-difluoro-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]benzamide
CID 110352040
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylmethanesulfonamide
CID 71779496
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]pyridine-4-carboxamide
CID 84513157

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]methanesulfonamide (CID 110352103) is 1-(4-chlorophenyl)-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]methanesulfonamide is Cn1c(CNS(=O)(=O)Cc2ccc(Cl)cc2)nc2ccccc2c1=O.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]methanesulfonamide?
The InChIKey is ZEHUOODOLKDCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c1-21-16(20-15-5-3-2-4-14(15)17(21)22)10-19-25(23,24)11-12-6-8-13(18)9-7-12/h2-9,19H,10-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]methanesulfonamide has a molecular weight of 377.85 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110352103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).