8-(cyclopropylmethyl)-15-methyl-14-oxo-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-4-sulfonamide

C19H20N4O3S — CID 86270835

IUPAC8-(cyclopropylmethyl)-15-methyl-14-oxo-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-4-sulfonamide
SMILESCn1cc2c3c(c[nH]c3c1=O)CN(CC1CC1)c1ccc(S(N)(=O)=O)cc1-2
InChIInChI=1S/C19H20N4O3S/c1-22-10-15-14-6-13(27(20,25)26)4-5-16(14)23(8-11-2-3-11)9-12-7-21-18(17(12)15)19(22)24/h4-7,10-11,21H,2-3,8-9H2,1H3,(H2,20,25,26)
InChIKeyVFVFHUFGTHYJEJ-UHFFFAOYSA-N
MW384.46 g/mol
LogP1.91
Rot. Bonds3

About 8-(cyclopropylmethyl)-15-methyl-14-oxo-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-4-sulfonamide

8-(cyclopropylmethyl)-15-methyl-14-oxo-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-4-sulfonamide (PubChem CID 86270835) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-15-methyl-14-oxo-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-4-sulfonamide.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-15-methyl-14-oxo-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-4-sulfonamide
PubChem CID86270835
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name8-(cyclopropylmethyl)-15-methyl-14-oxo-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-4-sulfonamide
SMILESCn1cc2c3c(c[nH]c3c1=O)CN(CC1CC1)c1ccc(S(N)(=O)=O)cc1-2
InChIInChI=1S/C19H20N4O3S/c1-22-10-15-14-6-13(27(20,25)26)4-5-16(14)23(8-11-2-3-11)9-12-7-21-18(17(12)15)19(22)24/h4-7,10-11,21H,2-3,8-9H2,1H3,(H2,20,25,26)
InChIKeyVFVFHUFGTHYJEJ-UHFFFAOYSA-N
XLogP1.91
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-(cyclopropylmethyl)-15-methyl-14-oxo-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-4-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-15-methyl-14-oxo-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-4-sulfonamide?
The IUPAC name of 8-(cyclopropylmethyl)-15-methyl-14-oxo-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-4-sulfonamide (CID 86270835) is 8-(cyclopropylmethyl)-15-methyl-14-oxo-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-4-sulfonamide.
What is the SMILES notation for 8-(cyclopropylmethyl)-15-methyl-14-oxo-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-4-sulfonamide?
The canonical SMILES for 8-(cyclopropylmethyl)-15-methyl-14-oxo-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-4-sulfonamide is Cn1cc2c3c(c[nH]c3c1=O)CN(CC1CC1)c1ccc(S(N)(=O)=O)cc1-2.
What is the InChIKey of 8-(cyclopropylmethyl)-15-methyl-14-oxo-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-4-sulfonamide?
The InChIKey is VFVFHUFGTHYJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-22-10-15-14-6-13(27(20,25)26)4-5-16(14)23(8-11-2-3-11)9-12-7-21-18(17(12)15)19(22)24/h4-7,10-11,21H,2-3,8-9H2,1H3,(H2,20,25,26).
What are the key properties of 8-(cyclopropylmethyl)-15-methyl-14-oxo-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-4-sulfonamide?
8-(cyclopropylmethyl)-15-methyl-14-oxo-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-4-sulfonamide has a molecular weight of 384.46 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-15-methyl-14-oxo-8,12,15-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2(7),3,5,10,13(17)-hexaene-4-sulfonamide is sourced from PubChem (CID 86270835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).