4-[[7-(5-chloro-2-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzenesulfonamide

C20H16ClN5O3S — CID 67102551

IUPAC4-[[7-(5-chloro-2-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzenesulfonamide
SMILESCOc1cc(-c2ccc3cnc(Nc4ccc(S(N)(=O)=O)cc4)nc3c2)c(Cl)cn1
InChIInChI=1S/C20H16ClN5O3S/c1-29-19-9-16(17(21)11-23-19)12-2-3-13-10-24-20(26-18(13)8-12)25-14-4-6-15(7-5-14)30(22,27)28/h2-11H,1H3,(H2,22,27,28)(H,24,25,26)
InChIKeyAZGGBKIKEWOSER-UHFFFAOYSA-N
MW441.90 g/mol
LogP3.74
Rot. Bonds5

About 4-[[7-(5-chloro-2-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzenesulfonamide

4-[[7-(5-chloro-2-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzenesulfonamide (PubChem CID 67102551) has the molecular formula C20H16ClN5O3S and a molecular weight of 441.90 g/mol. Its IUPAC name is 4-[[7-(5-chloro-2-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[7-(5-chloro-2-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzenesulfonamide
PubChem CID67102551
Molecular FormulaC20H16ClN5O3S
Molecular Weight441.90 g/mol
Exact Mass441.07
IUPAC Name4-[[7-(5-chloro-2-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzenesulfonamide
SMILESCOc1cc(-c2ccc3cnc(Nc4ccc(S(N)(=O)=O)cc4)nc3c2)c(Cl)cn1
InChIInChI=1S/C20H16ClN5O3S/c1-29-19-9-16(17(21)11-23-19)12-2-3-13-10-24-20(26-18(13)8-12)25-14-4-6-15(7-5-14)30(22,27)28/h2-11H,1H3,(H2,22,27,28)(H,24,25,26)
InChIKeyAZGGBKIKEWOSER-UHFFFAOYSA-N
XLogP3.74
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.90
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-(5-chloro-2-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[7-(5-chloro-2-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzenesulfonamide (CID 67102551) is 4-[[7-(5-chloro-2-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[7-(5-chloro-2-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[7-(5-chloro-2-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzenesulfonamide is COc1cc(-c2ccc3cnc(Nc4ccc(S(N)(=O)=O)cc4)nc3c2)c(Cl)cn1.
What is the InChIKey of 4-[[7-(5-chloro-2-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzenesulfonamide?
The InChIKey is AZGGBKIKEWOSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O3S/c1-29-19-9-16(17(21)11-23-19)12-2-3-13-10-24-20(26-18(13)8-12)25-14-4-6-15(7-5-14)30(22,27)28/h2-11H,1H3,(H2,22,27,28)(H,24,25,26).
What are the key properties of 4-[[7-(5-chloro-2-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzenesulfonamide?
4-[[7-(5-chloro-2-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzenesulfonamide has a molecular weight of 441.90 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(5-chloro-2-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 67102551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).