3-chloro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide

C21H16ClN3O3S — CID 16803205

IUPAC3-chloro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H16ClN3O3S/c1-14-23-20-8-3-2-7-19(20)21(26)25(14)17-11-9-16(10-12-17)24-29(27,28)18-6-4-5-15(22)13-18/h2-13,24H,1H3
InChIKeyPITVOPFYWNXQBI-UHFFFAOYSA-N
MW425.90 g/mol
LogP4.15
Rot. Bonds4

About 3-chloro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide

3-chloro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide (PubChem CID 16803205) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is 3-chloro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
PubChem CID16803205
Molecular FormulaC21H16ClN3O3S
Molecular Weight425.90 g/mol
Exact Mass425.06
IUPAC Name3-chloro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H16ClN3O3S/c1-14-23-20-8-3-2-7-19(20)21(26)25(14)17-11-9-16(10-12-17)24-29(27,28)18-6-4-5-15(22)13-18/h2-13,24H,1H3
InChIKeyPITVOPFYWNXQBI-UHFFFAOYSA-N
XLogP4.15
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 7161308
3-chloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 41004157
2,5-difluoro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16799885
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-methylbenzenesulfonamide
CID 43995526
4-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 7553748
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-2-sulfonamide
CID 41077373
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 16803597
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 41077351
2,4,5-trimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16803176
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-nitrobenzenesulfonamide
CID 41077366
2-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41004183
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methyl-3,5-dinitrobenzenesulfonamide
CID 43995520

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide (CID 16803205) is 3-chloro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide is Cc1nc2ccccc2c(=O)n1-c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is PITVOPFYWNXQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c1-14-23-20-8-3-2-7-19(20)21(26)25(14)17-11-9-16(10-12-17)24-29(27,28)18-6-4-5-15(22)13-18/h2-13,24H,1H3.
What are the key properties of 3-chloro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
3-chloro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 425.90 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 16803205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).