N-[(6-chloro-3-pyridinyl)methylsulfonyl]-1-methylindole-2-carboxamide

C16H14ClN3O3S — CID 86868963

IUPACN-[(6-chloro-3-pyridinyl)methylsulfonyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NS(=O)(=O)Cc2ccc(Cl)nc2)cc2ccccc21
InChIInChI=1S/C16H14ClN3O3S/c1-20-13-5-3-2-4-12(13)8-14(20)16(21)19-24(22,23)10-11-6-7-15(17)18-9-11/h2-9H,10H2,1H3,(H,19,21)
InChIKeyGWGZWSIEONMLTJ-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.49
Rot. Bonds4

About N-[(6-chloro-3-pyridinyl)methylsulfonyl]-1-methylindole-2-carboxamide

N-[(6-chloro-3-pyridinyl)methylsulfonyl]-1-methylindole-2-carboxamide (PubChem CID 86868963) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methylsulfonyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methylsulfonyl]-1-methylindole-2-carboxamide
PubChem CID86868963
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC NameN-[(6-chloro-3-pyridinyl)methylsulfonyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NS(=O)(=O)Cc2ccc(Cl)nc2)cc2ccccc21
InChIInChI=1S/C16H14ClN3O3S/c1-20-13-5-3-2-4-12(13)8-14(20)16(21)19-24(22,23)10-11-6-7-15(17)18-9-11/h2-9H,10H2,1H3,(H,19,21)
InChIKeyGWGZWSIEONMLTJ-UHFFFAOYSA-N
XLogP2.49
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methylsulfonyl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methylsulfonyl]-1-methylindole-2-carboxamide (CID 86868963) is N-[(6-chloro-3-pyridinyl)methylsulfonyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methylsulfonyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methylsulfonyl]-1-methylindole-2-carboxamide is Cn1c(C(=O)NS(=O)(=O)Cc2ccc(Cl)nc2)cc2ccccc21.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methylsulfonyl]-1-methylindole-2-carboxamide?
The InChIKey is GWGZWSIEONMLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c1-20-13-5-3-2-4-12(13)8-14(20)16(21)19-24(22,23)10-11-6-7-15(17)18-9-11/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of N-[(6-chloro-3-pyridinyl)methylsulfonyl]-1-methylindole-2-carboxamide?
N-[(6-chloro-3-pyridinyl)methylsulfonyl]-1-methylindole-2-carboxamide has a molecular weight of 363.83 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methylsulfonyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 86868963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).