4-[(3-cyanophenyl)sulfanylamino]-1H-indole-3-carbonitrile

C16H10N4S — CID 139366487

IUPAC4-[(3-cyanophenyl)sulfanylamino]-1H-indole-3-carbonitrile
SMILESN#Cc1cccc(SNc2cccc3[nH]cc(C#N)c23)c1
InChIInChI=1S/C16H10N4S/c17-8-11-3-1-4-13(7-11)21-20-15-6-2-5-14-16(15)12(9-18)10-19-14/h1-7,10,19-20H
InChIKeyZEVMNYRXRDPRBU-UHFFFAOYSA-N
MW290.35 g/mol
LogP4.03
Rot. Bonds3

About 4-[(3-cyanophenyl)sulfanylamino]-1H-indole-3-carbonitrile

4-[(3-cyanophenyl)sulfanylamino]-1H-indole-3-carbonitrile (PubChem CID 139366487) has the molecular formula C16H10N4S and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-[(3-cyanophenyl)sulfanylamino]-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name4-[(3-cyanophenyl)sulfanylamino]-1H-indole-3-carbonitrile
PubChem CID139366487
Molecular FormulaC16H10N4S
Molecular Weight290.35 g/mol
Exact Mass290.06
IUPAC Name4-[(3-cyanophenyl)sulfanylamino]-1H-indole-3-carbonitrile
SMILESN#Cc1cccc(SNc2cccc3[nH]cc(C#N)c23)c1
InChIInChI=1S/C16H10N4S/c17-8-11-3-1-4-13(7-11)21-20-15-6-2-5-14-16(15)12(9-18)10-19-14/h1-7,10,19-20H
InChIKeyZEVMNYRXRDPRBU-UHFFFAOYSA-N
XLogP4.03
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyanophenyl)sulfanylamino]-1H-indole-3-carbonitrile?
The IUPAC name of 4-[(3-cyanophenyl)sulfanylamino]-1H-indole-3-carbonitrile (CID 139366487) is 4-[(3-cyanophenyl)sulfanylamino]-1H-indole-3-carbonitrile.
What is the SMILES notation for 4-[(3-cyanophenyl)sulfanylamino]-1H-indole-3-carbonitrile?
The canonical SMILES for 4-[(3-cyanophenyl)sulfanylamino]-1H-indole-3-carbonitrile is N#Cc1cccc(SNc2cccc3[nH]cc(C#N)c23)c1.
What is the InChIKey of 4-[(3-cyanophenyl)sulfanylamino]-1H-indole-3-carbonitrile?
The InChIKey is ZEVMNYRXRDPRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4S/c17-8-11-3-1-4-13(7-11)21-20-15-6-2-5-14-16(15)12(9-18)10-19-14/h1-7,10,19-20H.
What are the key properties of 4-[(3-cyanophenyl)sulfanylamino]-1H-indole-3-carbonitrile?
4-[(3-cyanophenyl)sulfanylamino]-1H-indole-3-carbonitrile has a molecular weight of 290.35 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyanophenyl)sulfanylamino]-1H-indole-3-carbonitrile is sourced from PubChem (CID 139366487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).