N-cyclopropyl-2-[(3-iodo-2H-indazol-6-yl)sulfanyl]benzamide

C17H14IN3OS — CID 175999626

IUPACN-cyclopropyl-2-[(3-iodo-2H-indazol-6-yl)sulfanyl]benzamide
SMILESO=C(NC1CC1)c1ccccc1Sc1ccc2c(I)[nH]nc2c1
InChIInChI=1S/C17H14IN3OS/c18-16-12-8-7-11(9-14(12)20-21-16)23-15-4-2-1-3-13(15)17(22)19-10-5-6-10/h1-4,7-10H,5-6H2,(H,19,22)(H,20,21)
InChIKeyRRYGMSBKANPRFQ-UHFFFAOYSA-N
MW435.29 g/mol
LogP4.21
Rot. Bonds4

About N-cyclopropyl-2-[(3-iodo-2H-indazol-6-yl)sulfanyl]benzamide

N-cyclopropyl-2-[(3-iodo-2H-indazol-6-yl)sulfanyl]benzamide (PubChem CID 175999626) has the molecular formula C17H14IN3OS and a molecular weight of 435.29 g/mol. Its IUPAC name is N-cyclopropyl-2-[(3-iodo-2H-indazol-6-yl)sulfanyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(3-iodo-2H-indazol-6-yl)sulfanyl]benzamide
PubChem CID175999626
Molecular FormulaC17H14IN3OS
Molecular Weight435.29 g/mol
Exact Mass434.99
IUPAC NameN-cyclopropyl-2-[(3-iodo-2H-indazol-6-yl)sulfanyl]benzamide
SMILESO=C(NC1CC1)c1ccccc1Sc1ccc2c(I)[nH]nc2c1
InChIInChI=1S/C17H14IN3OS/c18-16-12-8-7-11(9-14(12)20-21-16)23-15-4-2-1-3-13(15)17(22)19-10-5-6-10/h1-4,7-10H,5-6H2,(H,19,22)(H,20,21)
InChIKeyRRYGMSBKANPRFQ-UHFFFAOYSA-N
XLogP4.21
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.29
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(3-iodo-2H-indazol-6-yl)sulfanyl]benzamide?
The IUPAC name of N-cyclopropyl-2-[(3-iodo-2H-indazol-6-yl)sulfanyl]benzamide (CID 175999626) is N-cyclopropyl-2-[(3-iodo-2H-indazol-6-yl)sulfanyl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[(3-iodo-2H-indazol-6-yl)sulfanyl]benzamide?
The canonical SMILES for N-cyclopropyl-2-[(3-iodo-2H-indazol-6-yl)sulfanyl]benzamide is O=C(NC1CC1)c1ccccc1Sc1ccc2c(I)[nH]nc2c1.
What is the InChIKey of N-cyclopropyl-2-[(3-iodo-2H-indazol-6-yl)sulfanyl]benzamide?
The InChIKey is RRYGMSBKANPRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14IN3OS/c18-16-12-8-7-11(9-14(12)20-21-16)23-15-4-2-1-3-13(15)17(22)19-10-5-6-10/h1-4,7-10H,5-6H2,(H,19,22)(H,20,21).
What are the key properties of N-cyclopropyl-2-[(3-iodo-2H-indazol-6-yl)sulfanyl]benzamide?
N-cyclopropyl-2-[(3-iodo-2H-indazol-6-yl)sulfanyl]benzamide has a molecular weight of 435.29 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(3-iodo-2H-indazol-6-yl)sulfanyl]benzamide is sourced from PubChem (CID 175999626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).