N-[2-[(4-pyridin-3-ylphenyl)methylamino]ethyl]quinazoline-6-sulfonamide

C22H21N5O2S — CID 171637683

IUPACN-[2-[(4-pyridin-3-ylphenyl)methylamino]ethyl]quinazoline-6-sulfonamide
SMILESO=S(=O)(NCCNCc1ccc(-c2cccnc2)cc1)c1ccc2ncncc2c1
InChIInChI=1S/C22H21N5O2S/c28-30(29,21-7-8-22-20(12-21)15-25-16-26-22)27-11-10-24-13-17-3-5-18(6-4-17)19-2-1-9-23-14-19/h1-9,12,14-16,24,27H,10-11,13H2
InChIKeyGWWHDDXPVNMSBN-UHFFFAOYSA-N
MW419.51 g/mol
LogP2.76
Rot. Bonds8

About N-[2-[(4-pyridin-3-ylphenyl)methylamino]ethyl]quinazoline-6-sulfonamide

N-[2-[(4-pyridin-3-ylphenyl)methylamino]ethyl]quinazoline-6-sulfonamide (PubChem CID 171637683) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[2-[(4-pyridin-3-ylphenyl)methylamino]ethyl]quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-[2-[(4-pyridin-3-ylphenyl)methylamino]ethyl]quinazoline-6-sulfonamide
PubChem CID171637683
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC NameN-[2-[(4-pyridin-3-ylphenyl)methylamino]ethyl]quinazoline-6-sulfonamide
SMILESO=S(=O)(NCCNCc1ccc(-c2cccnc2)cc1)c1ccc2ncncc2c1
InChIInChI=1S/C22H21N5O2S/c28-30(29,21-7-8-22-20(12-21)15-25-16-26-22)27-11-10-24-13-17-3-5-18(6-4-17)19-2-1-9-23-14-19/h1-9,12,14-16,24,27H,10-11,13H2
InChIKeyGWWHDDXPVNMSBN-UHFFFAOYSA-N
XLogP2.76
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-3-sulfonamide
CID 43605828
N-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide
CID 43546001
N-[(6-pyridin-3-yl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 91625946
N'-(1H-indazol-6-ylsulfanyl)-N-[(4-pyridin-3-ylphenyl)methyl]ethane-1,2-diamine
CID 171637613
N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 69469895
N-[2-(2-methoxyethylamino)ethyl]pyridine-3-sulfonamide
CID 83038911
3,4-dimethoxy-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 91816113
4-pyridin-3-ylbenzenesulfonyl chloride
CID 10682327
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
CID 121018139
2-amino-N-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethyl]benzenesulfonamide
CID 155556081
4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide
CID 25211077
N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine
CID 54911631

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-pyridin-3-ylphenyl)methylamino]ethyl]quinazoline-6-sulfonamide?
The IUPAC name of N-[2-[(4-pyridin-3-ylphenyl)methylamino]ethyl]quinazoline-6-sulfonamide (CID 171637683) is N-[2-[(4-pyridin-3-ylphenyl)methylamino]ethyl]quinazoline-6-sulfonamide.
What is the SMILES notation for N-[2-[(4-pyridin-3-ylphenyl)methylamino]ethyl]quinazoline-6-sulfonamide?
The canonical SMILES for N-[2-[(4-pyridin-3-ylphenyl)methylamino]ethyl]quinazoline-6-sulfonamide is O=S(=O)(NCCNCc1ccc(-c2cccnc2)cc1)c1ccc2ncncc2c1.
What is the InChIKey of N-[2-[(4-pyridin-3-ylphenyl)methylamino]ethyl]quinazoline-6-sulfonamide?
The InChIKey is GWWHDDXPVNMSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c28-30(29,21-7-8-22-20(12-21)15-25-16-26-22)27-11-10-24-13-17-3-5-18(6-4-17)19-2-1-9-23-14-19/h1-9,12,14-16,24,27H,10-11,13H2.
What are the key properties of N-[2-[(4-pyridin-3-ylphenyl)methylamino]ethyl]quinazoline-6-sulfonamide?
N-[2-[(4-pyridin-3-ylphenyl)methylamino]ethyl]quinazoline-6-sulfonamide has a molecular weight of 419.51 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-pyridin-3-ylphenyl)methylamino]ethyl]quinazoline-6-sulfonamide is sourced from PubChem (CID 171637683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).