4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C19H16ClN5O4S2 — CID 22693234

IUPAC4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1cc2nc(Cl)nc(Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2cc1OC
InChIInChI=1S/C19H16ClN5O4S2/c1-28-15-9-13-14(10-16(15)29-2)23-18(20)24-17(13)22-11-3-5-12(6-4-11)31(26,27)25-19-21-7-8-30-19/h3-10H,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyHACJZPRDPDFNEL-UHFFFAOYSA-N
MW477.96 g/mol
LogP4.30
Rot. Bonds7

About 4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 22693234) has the molecular formula C19H16ClN5O4S2 and a molecular weight of 477.96 g/mol. Its IUPAC name is 4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID22693234
Molecular FormulaC19H16ClN5O4S2
Molecular Weight477.96 g/mol
Exact Mass477.03
IUPAC Name4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1cc2nc(Cl)nc(Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2cc1OC
InChIInChI=1S/C19H16ClN5O4S2/c1-28-15-9-13-14(10-16(15)29-2)23-18(20)24-17(13)22-11-3-5-12(6-4-11)31(26,27)25-19-21-7-8-30-19/h3-10H,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyHACJZPRDPDFNEL-UHFFFAOYSA-N
XLogP4.30
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.96
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-chloro-N-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22692700
4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22693012
N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22693257
2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine
CID 85473005
4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzonitrile
CID 169095838
4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 6407153
3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28509857
4-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87145959
4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 10550689
2-chloro-6,7-dimethoxy-N-[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-amine
CID 85473009
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 4122055

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 22693234) is 4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is COc1cc2nc(Cl)nc(Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2cc1OC.
What is the InChIKey of 4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is HACJZPRDPDFNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O4S2/c1-28-15-9-13-14(10-16(15)29-2)23-18(20)24-17(13)22-11-3-5-12(6-4-11)31(26,27)25-19-21-7-8-30-19/h3-10H,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of 4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 477.96 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 22693234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).