4-[(2-propan-2-ylquinazolin-4-yl)amino]benzenesulfonamide

C17H18N4O2S — CID 110434808

IUPAC4-[(2-propan-2-ylquinazolin-4-yl)amino]benzenesulfonamide
SMILESCC(C)c1nc(Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2n1
InChIInChI=1S/C17H18N4O2S/c1-11(2)16-20-15-6-4-3-5-14(15)17(21-16)19-12-7-9-13(10-8-12)24(18,22)23/h3-11H,1-2H3,(H2,18,22,23)(H,19,20,21)
InChIKeyUMBFDINWNZEPLF-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.14
Rot. Bonds4

About 4-[(2-propan-2-ylquinazolin-4-yl)amino]benzenesulfonamide

4-[(2-propan-2-ylquinazolin-4-yl)amino]benzenesulfonamide (PubChem CID 110434808) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-[(2-propan-2-ylquinazolin-4-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-propan-2-ylquinazolin-4-yl)amino]benzenesulfonamide
PubChem CID110434808
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name4-[(2-propan-2-ylquinazolin-4-yl)amino]benzenesulfonamide
SMILESCC(C)c1nc(Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2n1
InChIInChI=1S/C17H18N4O2S/c1-11(2)16-20-15-6-4-3-5-14(15)17(21-16)19-12-7-9-13(10-8-12)24(18,22)23/h3-11H,1-2H3,(H2,18,22,23)(H,19,20,21)
InChIKeyUMBFDINWNZEPLF-UHFFFAOYSA-N
XLogP3.14
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-propan-2-ylquinazolin-4-amine
CID 21003823
3-hydroxy-2-[(2-propan-2-ylquinazolin-4-yl)amino]butanoic acid
CID 21003866
4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide
CID 2881633
2-propan-2-yl-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 110434800
N-propan-2-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide
CID 146082671
2-[(2-propan-2-ylquinazolin-4-yl)amino]propanoic acid
CID 21003858
2-[(1R)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine
CID 98046692
2-[(1R)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-phenylquinazolin-4-amine
CID 92753550
2-[(1S)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine
CID 92753551
2-[1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-N-(4-methylphenyl)quinazolin-4-amine
CID 23632205
4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide
CID 82059643
3-[[2-(4-methylphenyl)quinazolin-4-yl]amino]benzenesulfonamide
CID 172913760

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propan-2-ylquinazolin-4-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(2-propan-2-ylquinazolin-4-yl)amino]benzenesulfonamide (CID 110434808) is 4-[(2-propan-2-ylquinazolin-4-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(2-propan-2-ylquinazolin-4-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(2-propan-2-ylquinazolin-4-yl)amino]benzenesulfonamide is CC(C)c1nc(Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2n1.
What is the InChIKey of 4-[(2-propan-2-ylquinazolin-4-yl)amino]benzenesulfonamide?
The InChIKey is UMBFDINWNZEPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11(2)16-20-15-6-4-3-5-14(15)17(21-16)19-12-7-9-13(10-8-12)24(18,22)23/h3-11H,1-2H3,(H2,18,22,23)(H,19,20,21).
What are the key properties of 4-[(2-propan-2-ylquinazolin-4-yl)amino]benzenesulfonamide?
4-[(2-propan-2-ylquinazolin-4-yl)amino]benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propan-2-ylquinazolin-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 110434808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).