N-(1-cyanocyclopropyl)-9H-pyrido[2,3-b]indole-7-sulfonamide

C15H12N4O2S — CID 171460867

IUPACN-(1-cyanocyclopropyl)-9H-pyrido[2,3-b]indole-7-sulfonamide
SMILESN#CC1(NS(=O)(=O)c2ccc3c(c2)[nH]c2ncccc23)CC1
InChIInChI=1S/C15H12N4O2S/c16-9-15(5-6-15)19-22(20,21)10-3-4-11-12-2-1-7-17-14(12)18-13(11)8-10/h1-4,7-8,19H,5-6H2,(H,17,18)
InChIKeyDTRWSCABEYBRIK-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.05
Rot. Bonds3

About N-(1-cyanocyclopropyl)-9H-pyrido[2,3-b]indole-7-sulfonamide

N-(1-cyanocyclopropyl)-9H-pyrido[2,3-b]indole-7-sulfonamide (PubChem CID 171460867) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-9H-pyrido[2,3-b]indole-7-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-9H-pyrido[2,3-b]indole-7-sulfonamide
PubChem CID171460867
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC NameN-(1-cyanocyclopropyl)-9H-pyrido[2,3-b]indole-7-sulfonamide
SMILESN#CC1(NS(=O)(=O)c2ccc3c(c2)[nH]c2ncccc23)CC1
InChIInChI=1S/C15H12N4O2S/c16-9-15(5-6-15)19-22(20,21)10-3-4-11-12-2-1-7-17-14(12)18-13(11)8-10/h1-4,7-8,19H,5-6H2,(H,17,18)
InChIKeyDTRWSCABEYBRIK-UHFFFAOYSA-N
XLogP2.05
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-9H-pyrido[2,3-b]indole-7-sulfonamide?
The IUPAC name of N-(1-cyanocyclopropyl)-9H-pyrido[2,3-b]indole-7-sulfonamide (CID 171460867) is N-(1-cyanocyclopropyl)-9H-pyrido[2,3-b]indole-7-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)-9H-pyrido[2,3-b]indole-7-sulfonamide?
The canonical SMILES for N-(1-cyanocyclopropyl)-9H-pyrido[2,3-b]indole-7-sulfonamide is N#CC1(NS(=O)(=O)c2ccc3c(c2)[nH]c2ncccc23)CC1.
What is the InChIKey of N-(1-cyanocyclopropyl)-9H-pyrido[2,3-b]indole-7-sulfonamide?
The InChIKey is DTRWSCABEYBRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c16-9-15(5-6-15)19-22(20,21)10-3-4-11-12-2-1-7-17-14(12)18-13(11)8-10/h1-4,7-8,19H,5-6H2,(H,17,18).
What are the key properties of N-(1-cyanocyclopropyl)-9H-pyrido[2,3-b]indole-7-sulfonamide?
N-(1-cyanocyclopropyl)-9H-pyrido[2,3-b]indole-7-sulfonamide has a molecular weight of 312.35 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-9H-pyrido[2,3-b]indole-7-sulfonamide is sourced from PubChem (CID 171460867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).