4-amino-N-(6-chloroquinazolin-2-yl)-2-methoxybenzenesulfonamide

C15H13ClN4O3S — CID 163515619

IUPAC4-amino-N-(6-chloroquinazolin-2-yl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)Nc1ncc2cc(Cl)ccc2n1
InChIInChI=1S/C15H13ClN4O3S/c1-23-13-7-11(17)3-5-14(13)24(21,22)20-15-18-8-9-6-10(16)2-4-12(9)19-15/h2-8H,17H2,1H3,(H,18,19,20)
InChIKeyDGLSIQJDFWILBC-UHFFFAOYSA-N
MW364.81 g/mol
LogP2.67
Rot. Bonds4

About 4-amino-N-(6-chloroquinazolin-2-yl)-2-methoxybenzenesulfonamide

4-amino-N-(6-chloroquinazolin-2-yl)-2-methoxybenzenesulfonamide (PubChem CID 163515619) has the molecular formula C15H13ClN4O3S and a molecular weight of 364.81 g/mol. Its IUPAC name is 4-amino-N-(6-chloroquinazolin-2-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(6-chloroquinazolin-2-yl)-2-methoxybenzenesulfonamide
PubChem CID163515619
Molecular FormulaC15H13ClN4O3S
Molecular Weight364.81 g/mol
Exact Mass364.04
IUPAC Name4-amino-N-(6-chloroquinazolin-2-yl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)Nc1ncc2cc(Cl)ccc2n1
InChIInChI=1S/C15H13ClN4O3S/c1-23-13-7-11(17)3-5-14(13)24(21,22)20-15-18-8-9-6-10(16)2-4-12(9)19-15/h2-8H,17H2,1H3,(H,18,19,20)
InChIKeyDGLSIQJDFWILBC-UHFFFAOYSA-N
XLogP2.67
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide
CID 43258342
4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 103093928
4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 43258667
4-amino-N-(2-chloro-5-methylphenyl)-2-methoxybenzenesulfonamide
CID 107624522
4-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxybenzenesulfonamide
CID 104616810
N-(5-bromopyrazin-2-yl)-4-chloro-2-methoxybenzenesulfonamide
CID 115733519
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
4-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540598
4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 43257220
4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 43257571
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-chloro-2-methoxybenzenesulfonamide
CID 79529149
4-amino-2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 62996892

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-chloroquinazolin-2-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(6-chloroquinazolin-2-yl)-2-methoxybenzenesulfonamide (CID 163515619) is 4-amino-N-(6-chloroquinazolin-2-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(6-chloroquinazolin-2-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(6-chloroquinazolin-2-yl)-2-methoxybenzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)Nc1ncc2cc(Cl)ccc2n1.
What is the InChIKey of 4-amino-N-(6-chloroquinazolin-2-yl)-2-methoxybenzenesulfonamide?
The InChIKey is DGLSIQJDFWILBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3S/c1-23-13-7-11(17)3-5-14(13)24(21,22)20-15-18-8-9-6-10(16)2-4-12(9)19-15/h2-8H,17H2,1H3,(H,18,19,20).
What are the key properties of 4-amino-N-(6-chloroquinazolin-2-yl)-2-methoxybenzenesulfonamide?
4-amino-N-(6-chloroquinazolin-2-yl)-2-methoxybenzenesulfonamide has a molecular weight of 364.81 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-chloroquinazolin-2-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 163515619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).