5-sulfamoyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene-15-carboxylic acid

C19H11N3O4S — CID 66810403

IUPAC5-sulfamoyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene-15-carboxylic acid
SMILESNS(=O)(=O)c1cnc2ccc3c(c2n1)-c1cccc2c(C(=O)O)ccc-3c12
InChIInChI=1S/C19H11N3O4S/c20-27(25,26)15-8-21-14-7-6-11-10-4-5-12(19(23)24)9-2-1-3-13(16(9)10)17(11)18(14)22-15/h1-8H,(H,23,24)(H2,20,25,26)
InChIKeyDYUZKOUBAPQLGR-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.78
Rot. Bonds2

About 5-sulfamoyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene-15-carboxylic acid

5-sulfamoyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene-15-carboxylic acid (PubChem CID 66810403) has the molecular formula C19H11N3O4S and a molecular weight of 377.38 g/mol. Its IUPAC name is 5-sulfamoyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene-15-carboxylic acid.

Molecular Properties

Compound Name5-sulfamoyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene-15-carboxylic acid
PubChem CID66810403
Molecular FormulaC19H11N3O4S
Molecular Weight377.38 g/mol
Exact Mass377.05
IUPAC Name5-sulfamoyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene-15-carboxylic acid
SMILESNS(=O)(=O)c1cnc2ccc3c(c2n1)-c1cccc2c(C(=O)O)ccc-3c12
InChIInChI=1S/C19H11N3O4S/c20-27(25,26)15-8-21-14-7-6-11-10-4-5-12(19(23)24)9-2-1-3-13(16(9)10)17(11)18(14)22-15/h1-8H,(H,23,24)(H2,20,25,26)
InChIKeyDYUZKOUBAPQLGR-UHFFFAOYSA-N
XLogP2.78
TPSA123.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-sulfamoyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene-15-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-sulfamoyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene-15-carboxylic acid?
The IUPAC name of 5-sulfamoyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene-15-carboxylic acid (CID 66810403) is 5-sulfamoyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene-15-carboxylic acid.
What is the SMILES notation for 5-sulfamoyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene-15-carboxylic acid?
The canonical SMILES for 5-sulfamoyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene-15-carboxylic acid is NS(=O)(=O)c1cnc2ccc3c(c2n1)-c1cccc2c(C(=O)O)ccc-3c12.
What is the InChIKey of 5-sulfamoyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene-15-carboxylic acid?
The InChIKey is DYUZKOUBAPQLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O4S/c20-27(25,26)15-8-21-14-7-6-11-10-4-5-12(19(23)24)9-2-1-3-13(16(9)10)17(11)18(14)22-15/h1-8H,(H,23,24)(H2,20,25,26).
What are the key properties of 5-sulfamoyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene-15-carboxylic acid?
5-sulfamoyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene-15-carboxylic acid has a molecular weight of 377.38 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfamoyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene-15-carboxylic acid is sourced from PubChem (CID 66810403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).