4-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzenesulfonamide

C16H21N5O2S — CID 72907968

IUPAC4-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzenesulfonamide
SMILESNc1nc2c(c(NCCc3ccc(S(N)(=O)=O)cc3)n1)CCCC2
InChIInChI=1S/C16H21N5O2S/c17-16-20-14-4-2-1-3-13(14)15(21-16)19-10-9-11-5-7-12(8-6-11)24(18,22)23/h5-8H,1-4,9-10H2,(H2,18,22,23)(H3,17,19,20,21)
InChIKeyCRJBGLQKAOBLDR-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.24
Rot. Bonds5

About 4-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzenesulfonamide

4-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzenesulfonamide (PubChem CID 72907968) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzenesulfonamide
PubChem CID72907968
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name4-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzenesulfonamide
SMILESNc1nc2c(c(NCCc3ccc(S(N)(=O)=O)cc3)n1)CCCC2
InChIInChI=1S/C16H21N5O2S/c17-16-20-14-4-2-1-3-13(14)15(21-16)19-10-9-11-5-7-12(8-6-11)24(18,22)23/h5-8H,1-4,9-10H2,(H2,18,22,23)(H3,17,19,20,21)
InChIKeyCRJBGLQKAOBLDR-UHFFFAOYSA-N
XLogP1.24
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzenesulfonamide with MolForge

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Related Compounds

4-[2-[(3-amino-2-chloro-5,6,7,8-tetrahydroquinolin-4-yl)amino]ethyl]benzenesulfonamide
CID 139793800
4-[[(2-amino-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]methyl]benzenesulfonamide;dihydrochloride
CID 154890990
4-[2-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ylamino)ethyl]benzenesulfonamide
CID 56909543
4-[[(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide
CID 75437517
4-chloro-N-[2-(2-phenylethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]benzenesulfonamide
CID 52947008
4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide
CID 60620125
4-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 97188062
4-N-[1-(4-methylsulfonylphenyl)ethyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 72843900
4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 106194577
4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 114835817
4-[2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzene-1,2-diol
CID 133461658
4-[2-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 109297701

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzenesulfonamide (CID 72907968) is 4-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzenesulfonamide is Nc1nc2c(c(NCCc3ccc(S(N)(=O)=O)cc3)n1)CCCC2.
What is the InChIKey of 4-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is CRJBGLQKAOBLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c17-16-20-14-4-2-1-3-13(14)15(21-16)19-10-9-11-5-7-12(8-6-11)24(18,22)23/h5-8H,1-4,9-10H2,(H2,18,22,23)(H3,17,19,20,21).
What are the key properties of 4-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzenesulfonamide?
4-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 72907968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).