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

C22H18ClN3O3S — CID 41004157

IUPAC3-chloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
SMILESCc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C22H18ClN3O3S/c1-14-12-17(26-15(2)24-21-9-4-3-8-19(21)22(26)27)10-11-20(14)25-30(28,29)18-7-5-6-16(23)13-18/h3-13,25H,1-2H3
InChIKeyNVCRCVTYRXHWPF-UHFFFAOYSA-N
MW439.92 g/mol
LogP4.46
Rot. Bonds4

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

3-chloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide (PubChem CID 41004157) has the molecular formula C22H18ClN3O3S and a molecular weight of 439.92 g/mol. Its IUPAC name is 3-chloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
PubChem CID41004157
Molecular FormulaC22H18ClN3O3S
Molecular Weight439.92 g/mol
Exact Mass439.08
IUPAC Name3-chloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
SMILESCc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C22H18ClN3O3S/c1-14-12-17(26-15(2)24-21-9-4-3-8-19(21)22(26)27)10-11-20(14)25-30(28,29)18-7-5-6-16(23)13-18/h3-13,25H,1-2H3
InChIKeyNVCRCVTYRXHWPF-UHFFFAOYSA-N
XLogP4.46
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16803205
N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-phenoxybenzenesulfonamide
CID 41004141
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-methylbenzenesulfonamide
CID 43995526
2,4-dimethyl-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16803175
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-2-sulfonamide
CID 41077373
3-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 7161308
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
2,5-dichloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41027687
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-nitrobenzenesulfonamide
CID 41077366
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methyl-3,5-dinitrobenzenesulfonamide
CID 43995520
5-bromo-2-ethoxy-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 43988626

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide (CID 41004157) is 3-chloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide is Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is NVCRCVTYRXHWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3S/c1-14-12-17(26-15(2)24-21-9-4-3-8-19(21)22(26)27)10-11-20(14)25-30(28,29)18-7-5-6-16(23)13-18/h3-13,25H,1-2H3.
What are the key properties of 3-chloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
3-chloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 439.92 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 41004157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).