2-[2-amino-4-(methylamino)quinazolin-7-yl]-N-methylbenzenesulfonamide

C16H17N5O2S — CID 11493918

IUPAC2-[2-amino-4-(methylamino)quinazolin-7-yl]-N-methylbenzenesulfonamide
SMILESCNc1nc(N)nc2cc(-c3ccccc3S(=O)(=O)NC)ccc12
InChIInChI=1S/C16H17N5O2S/c1-18-15-12-8-7-10(9-13(12)20-16(17)21-15)11-5-3-4-6-14(11)24(22,23)19-2/h3-9,19H,1-2H3,(H3,17,18,20,21)
InChIKeyPHYGRSSDPHUPNL-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.83
Rot. Bonds4

About 2-[2-amino-4-(methylamino)quinazolin-7-yl]-N-methylbenzenesulfonamide

2-[2-amino-4-(methylamino)quinazolin-7-yl]-N-methylbenzenesulfonamide (PubChem CID 11493918) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-[2-amino-4-(methylamino)quinazolin-7-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[2-amino-4-(methylamino)quinazolin-7-yl]-N-methylbenzenesulfonamide
PubChem CID11493918
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name2-[2-amino-4-(methylamino)quinazolin-7-yl]-N-methylbenzenesulfonamide
SMILESCNc1nc(N)nc2cc(-c3ccccc3S(=O)(=O)NC)ccc12
InChIInChI=1S/C16H17N5O2S/c1-18-15-12-8-7-10(9-13(12)20-16(17)21-15)11-5-3-4-6-14(11)24(22,23)19-2/h3-9,19H,1-2H3,(H3,17,18,20,21)
InChIKeyPHYGRSSDPHUPNL-UHFFFAOYSA-N
XLogP1.83
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Cgp71683A
CID 9849276
Cgp-71683a free base
CID 5312114
2,4-Diaminopyrimidine derivative, 11c
CID 11538534
N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide
CID 54141274
N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-2-sulfonamide;hydrochloride
CID 56668433
N,N-Dimethyl-C-[4-(4-phenylamino-quinazolin-2-ylamino)-phenyl]-methanesulfonamide
CID 44271542
7-Phenylquinazoline-2,4-diamine
CID 56669623
2-[4-(methylsulfonyl)-1-piperazinyl]-N-(1-phenylethyl)-4-quinazolinamine
CID 2954542
6-Methyl-7-(4-methylsulfonylphenyl)quinazoline-2,4-diamine
CID 56666218
7-(4-Methylsulfonylphenyl)quinazoline-2,4-diamine
CID 56669625
4-[(Quinolin-2-ylamino)methyl]benzenesulfonamide
CID 4825855
2-methyl-N-quinazolin-4-ylbenzenesulfonamide
CID 9267131

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(methylamino)quinazolin-7-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[2-amino-4-(methylamino)quinazolin-7-yl]-N-methylbenzenesulfonamide (CID 11493918) is 2-[2-amino-4-(methylamino)quinazolin-7-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[2-amino-4-(methylamino)quinazolin-7-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[2-amino-4-(methylamino)quinazolin-7-yl]-N-methylbenzenesulfonamide is CNc1nc(N)nc2cc(-c3ccccc3S(=O)(=O)NC)ccc12.
What is the InChIKey of 2-[2-amino-4-(methylamino)quinazolin-7-yl]-N-methylbenzenesulfonamide?
The InChIKey is PHYGRSSDPHUPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-18-15-12-8-7-10(9-13(12)20-16(17)21-15)11-5-3-4-6-14(11)24(22,23)19-2/h3-9,19H,1-2H3,(H3,17,18,20,21).
What are the key properties of 2-[2-amino-4-(methylamino)quinazolin-7-yl]-N-methylbenzenesulfonamide?
2-[2-amino-4-(methylamino)quinazolin-7-yl]-N-methylbenzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(methylamino)quinazolin-7-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 11493918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).