N-pyridin-2-yl-4-(quinazolin-4-ylamino)benzenesulfonamide

C19H15N5O2S — CID 16805620

IUPACN-pyridin-2-yl-4-(quinazolin-4-ylamino)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc(Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C19H15N5O2S/c25-27(26,24-18-7-3-4-12-20-18)15-10-8-14(9-11-15)23-19-16-5-1-2-6-17(16)21-13-22-19/h1-13H,(H,20,24)(H,21,22,23)
InChIKeyBOFXVZDMKZVDGA-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.57
Rot. Bonds5

About N-pyridin-2-yl-4-(quinazolin-4-ylamino)benzenesulfonamide

N-pyridin-2-yl-4-(quinazolin-4-ylamino)benzenesulfonamide (PubChem CID 16805620) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-pyridin-2-yl-4-(quinazolin-4-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-pyridin-2-yl-4-(quinazolin-4-ylamino)benzenesulfonamide
PubChem CID16805620
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC NameN-pyridin-2-yl-4-(quinazolin-4-ylamino)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc(Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C19H15N5O2S/c25-27(26,24-18-7-3-4-12-20-18)15-10-8-14(9-11-15)23-19-16-5-1-2-6-17(16)21-13-22-19/h1-13H,(H,20,24)(H,21,22,23)
InChIKeyBOFXVZDMKZVDGA-UHFFFAOYSA-N
XLogP3.57
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylbenzenesulfonamide
CID 21009377
4-amino-N-pyridin-2-ylbenzenesulfonamide;hydrochloride
CID 68756822
4-amino-N-pyridin-2-ylbenzenesulfonamide;molecular nitrogen
CID 174728998
N-(4-tert-butylphenyl)quinazolin-4-amine
CID 11323396
4-(quinazolin-4-ylamino)phenol;hydrochloride
CID 2790603
4-(benzylamino)-N-pyridin-2-ylbenzenesulfonamide
CID 67330648
4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid
CID 4918646
[4-(pyridin-2-ylsulfamoyl)phenyl]thiourea
CID 87842258
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
propan-2-yl 5-methyl-4-[4-(pyridin-2-ylsulfamoyl)anilino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 21009381
N-[4-(pyridin-2-ylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 19204277
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-4-(quinazolin-4-ylamino)benzenesulfonamide?
The IUPAC name of N-pyridin-2-yl-4-(quinazolin-4-ylamino)benzenesulfonamide (CID 16805620) is N-pyridin-2-yl-4-(quinazolin-4-ylamino)benzenesulfonamide.
What is the SMILES notation for N-pyridin-2-yl-4-(quinazolin-4-ylamino)benzenesulfonamide?
The canonical SMILES for N-pyridin-2-yl-4-(quinazolin-4-ylamino)benzenesulfonamide is O=S(=O)(Nc1ccccn1)c1ccc(Nc2ncnc3ccccc23)cc1.
What is the InChIKey of N-pyridin-2-yl-4-(quinazolin-4-ylamino)benzenesulfonamide?
The InChIKey is BOFXVZDMKZVDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c25-27(26,24-18-7-3-4-12-20-18)15-10-8-14(9-11-15)23-19-16-5-1-2-6-17(16)21-13-22-19/h1-13H,(H,20,24)(H,21,22,23).
What are the key properties of N-pyridin-2-yl-4-(quinazolin-4-ylamino)benzenesulfonamide?
N-pyridin-2-yl-4-(quinazolin-4-ylamino)benzenesulfonamide has a molecular weight of 377.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-4-(quinazolin-4-ylamino)benzenesulfonamide is sourced from PubChem (CID 16805620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).