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

CID 9849276
CID 9849276
CID 5312114
CID 5312114
CID 11538534
CID 11538534
CID 54141274
CID 54141274
CID 56668433
CID 56668433
CID 44271542
CID 44271542
CID 56669623
CID 56669623
CID 2954542
CID 2954542
CID 56666218
CID 56666218
CID 56669625
CID 56669625
CID 4825855
CID 4825855
CID 9267131
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).