4-(dimethylamino)-N-methyl-3-(quinazolin-4-ylamino)benzenesulfonamide

C17H19N5O2S — CID 52934796

IUPAC4-(dimethylamino)-N-methyl-3-(quinazolin-4-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3ccccc23)c1
InChIInChI=1S/C17H19N5O2S/c1-18-25(23,24)12-8-9-16(22(2)3)15(10-12)21-17-13-6-4-5-7-14(13)19-11-20-17/h4-11,18H,1-3H3,(H,19,20,21)
InChIKeyGXUZZZRWJPJLHA-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.35
Rot. Bonds5

About 4-(dimethylamino)-N-methyl-3-(quinazolin-4-ylamino)benzenesulfonamide

4-(dimethylamino)-N-methyl-3-(quinazolin-4-ylamino)benzenesulfonamide (PubChem CID 52934796) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-(dimethylamino)-N-methyl-3-(quinazolin-4-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-methyl-3-(quinazolin-4-ylamino)benzenesulfonamide
PubChem CID52934796
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name4-(dimethylamino)-N-methyl-3-(quinazolin-4-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3ccccc23)c1
InChIInChI=1S/C17H19N5O2S/c1-18-25(23,24)12-8-9-16(22(2)3)15(10-12)21-17-13-6-4-5-7-14(13)19-11-20-17/h4-11,18H,1-3H3,(H,19,20,21)
InChIKeyGXUZZZRWJPJLHA-UHFFFAOYSA-N
XLogP2.35
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2933833
N-methyl-3-[(6-{[4-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]benzene-1-sulfonamide
CID 67345149
4-[4-(2,5-Difluorophenyl)sulfonylpiperazin-1-yl]quinazoline
CID 9207874
N,N-Dimethyl-C-[4-(4-phenylamino-quinazolin-2-ylamino)-phenyl]-methanesulfonamide
CID 44271542
4-(dimethylamino)-N-methyl-3-[[6-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzenesulfonamide
CID 54675501
2-[4-(methylsulfonyl)-1-piperazinyl]-N-(1-phenylethyl)-4-quinazolinamine
CID 2954542
2-methyl-N-quinazolin-4-ylbenzenesulfonamide
CID 9267131
4-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]quinazoline
CID 9460093
US10167270, Example 26
CID 25708371
4-Methyl-N-[4-(4-phenylamino-quinazolin-2-ylamino)-cyclohexylmethyl]-benzenesulfonamide
CID 44271478
Butane-1-sulfonic acid {4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-amide
CID 44401508
2-[[6-iodo-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]-N-phenylethanesulfonamide
CID 45379922

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-methyl-3-(quinazolin-4-ylamino)benzenesulfonamide?
The IUPAC name of 4-(dimethylamino)-N-methyl-3-(quinazolin-4-ylamino)benzenesulfonamide (CID 52934796) is 4-(dimethylamino)-N-methyl-3-(quinazolin-4-ylamino)benzenesulfonamide.
What is the SMILES notation for 4-(dimethylamino)-N-methyl-3-(quinazolin-4-ylamino)benzenesulfonamide?
The canonical SMILES for 4-(dimethylamino)-N-methyl-3-(quinazolin-4-ylamino)benzenesulfonamide is CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3ccccc23)c1.
What is the InChIKey of 4-(dimethylamino)-N-methyl-3-(quinazolin-4-ylamino)benzenesulfonamide?
The InChIKey is GXUZZZRWJPJLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-18-25(23,24)12-8-9-16(22(2)3)15(10-12)21-17-13-6-4-5-7-14(13)19-11-20-17/h4-11,18H,1-3H3,(H,19,20,21).
What are the key properties of 4-(dimethylamino)-N-methyl-3-(quinazolin-4-ylamino)benzenesulfonamide?
4-(dimethylamino)-N-methyl-3-(quinazolin-4-ylamino)benzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-methyl-3-(quinazolin-4-ylamino)benzenesulfonamide is sourced from PubChem (CID 52934796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).