N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-2-sulfonamide

C25H18ClN3O3S — CID 41077373

IUPACN-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-2-sulfonamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NS(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C25H18ClN3O3S/c1-16-27-23-9-5-4-8-21(23)25(30)29(16)19-11-13-22(26)24(15-19)28-33(31,32)20-12-10-17-6-2-3-7-18(17)14-20/h2-15,28H,1H3
InChIKeyCOPRWUNIYFJCAO-UHFFFAOYSA-N
MW475.96 g/mol
LogP5.30
Rot. Bonds4

About N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-2-sulfonamide

N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-2-sulfonamide (PubChem CID 41077373) has the molecular formula C25H18ClN3O3S and a molecular weight of 475.96 g/mol. Its IUPAC name is N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-2-sulfonamide
PubChem CID41077373
Molecular FormulaC25H18ClN3O3S
Molecular Weight475.96 g/mol
Exact Mass475.08
IUPAC NameN-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-2-sulfonamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NS(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C25H18ClN3O3S/c1-16-27-23-9-5-4-8-21(23)25(30)29(16)19-11-13-22(26)24(15-19)28-33(31,32)20-12-10-17-6-2-3-7-18(17)14-20/h2-15,28H,1H3
InChIKeyCOPRWUNIYFJCAO-UHFFFAOYSA-N
XLogP5.30
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.96
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-nitrobenzenesulfonamide
CID 41077366
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methyl-3,5-dinitrobenzenesulfonamide
CID 43995520
4-butoxy-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 41077348
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 41077351
3-chloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 41004157
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-methylbenzenesulfonamide
CID 43995526
N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-phenoxybenzenesulfonamide
CID 41004141
2-chloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077192
3-chloro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16803205
2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41077451
2-chloro-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-5-nitrobenzenesulfonamide
CID 30600640

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-2-sulfonamide (CID 41077373) is N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-2-sulfonamide is Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(NS(=O)(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-2-sulfonamide?
The InChIKey is COPRWUNIYFJCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3O3S/c1-16-27-23-9-5-4-8-21(23)25(30)29(16)19-11-13-22(26)24(15-19)28-33(31,32)20-12-10-17-6-2-3-7-18(17)14-20/h2-15,28H,1H3.
What are the key properties of N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-2-sulfonamide?
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-2-sulfonamide has a molecular weight of 475.96 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 41077373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).