3-[1-[(7-chloroquinazolin-4-yl)amino]propyl]benzenesulfonamide

C17H17ClN4O2S — CID 133300829

IUPAC3-[1-[(7-chloroquinazolin-4-yl)amino]propyl]benzenesulfonamide
SMILESCCC(Nc1ncnc2cc(Cl)ccc12)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H17ClN4O2S/c1-2-15(11-4-3-5-13(8-11)25(19,23)24)22-17-14-7-6-12(18)9-16(14)20-10-21-17/h3-10,15H,2H2,1H3,(H2,19,23,24)(H,20,21,22)
InChIKeyAUQKKCIYKQUDLP-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.49
Rot. Bonds5

About 3-[1-[(7-chloroquinazolin-4-yl)amino]propyl]benzenesulfonamide

3-[1-[(7-chloroquinazolin-4-yl)amino]propyl]benzenesulfonamide (PubChem CID 133300829) has the molecular formula C17H17ClN4O2S and a molecular weight of 376.87 g/mol. Its IUPAC name is 3-[1-[(7-chloroquinazolin-4-yl)amino]propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[(7-chloroquinazolin-4-yl)amino]propyl]benzenesulfonamide
PubChem CID133300829
Molecular FormulaC17H17ClN4O2S
Molecular Weight376.87 g/mol
Exact Mass376.08
IUPAC Name3-[1-[(7-chloroquinazolin-4-yl)amino]propyl]benzenesulfonamide
SMILESCCC(Nc1ncnc2cc(Cl)ccc12)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H17ClN4O2S/c1-2-15(11-4-3-5-13(8-11)25(19,23)24)22-17-14-7-6-12(18)9-16(14)20-10-21-17/h3-10,15H,2H2,1H3,(H2,19,23,24)(H,20,21,22)
InChIKeyAUQKKCIYKQUDLP-UHFFFAOYSA-N
XLogP3.49
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzenesulfonamide
CID 133286489
2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol
CID 86910047
7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine
CID 166321938
2-[(7-chloroquinazolin-4-yl)amino]-2-phenylacetamide
CID 86920499
3-[(1R)-1-(1,3-benzoxazol-2-ylamino)propyl]benzenesulfonamide
CID 95329361
3-amino-2-(4-chlorophenyl)-N-[1-(3-sulfamoylphenyl)propyl]propanamide
CID 166383331
N-(2-acetamido-4-chlorophenyl)-6-[1-(3-sulfamoylphenyl)propylamino]pyrazine-2-carboxamide
CID 166329724
3-[1-[(5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 71978290
5-chloro-N-[1-(3-sulfamoylphenyl)propyl]furan-2-carboxamide
CID 56826904
2-[1-(3-chlorophenyl)propylamino]ethanesulfonamide
CID 43551886
2-[(7-chloroquinazolin-4-yl)amino]-N,N-dimethylpropanamide
CID 42961075
2-[(7-aminoquinazolin-4-yl)amino]-2-phenylethanol
CID 65336697

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(7-chloroquinazolin-4-yl)amino]propyl]benzenesulfonamide?
The IUPAC name of 3-[1-[(7-chloroquinazolin-4-yl)amino]propyl]benzenesulfonamide (CID 133300829) is 3-[1-[(7-chloroquinazolin-4-yl)amino]propyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[(7-chloroquinazolin-4-yl)amino]propyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[(7-chloroquinazolin-4-yl)amino]propyl]benzenesulfonamide is CCC(Nc1ncnc2cc(Cl)ccc12)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-[(7-chloroquinazolin-4-yl)amino]propyl]benzenesulfonamide?
The InChIKey is AUQKKCIYKQUDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S/c1-2-15(11-4-3-5-13(8-11)25(19,23)24)22-17-14-7-6-12(18)9-16(14)20-10-21-17/h3-10,15H,2H2,1H3,(H2,19,23,24)(H,20,21,22).
What are the key properties of 3-[1-[(7-chloroquinazolin-4-yl)amino]propyl]benzenesulfonamide?
3-[1-[(7-chloroquinazolin-4-yl)amino]propyl]benzenesulfonamide has a molecular weight of 376.87 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(7-chloroquinazolin-4-yl)amino]propyl]benzenesulfonamide is sourced from PubChem (CID 133300829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).