5-chloro-3-(3-pyridin-3-ylprop-2-enylsulfonyl)-1H-indole-2-carboxamide

C17H14ClN3O3S — CID 174388500

IUPAC5-chloro-3-(3-pyridin-3-ylprop-2-enylsulfonyl)-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)CC=Cc1cccnc1
InChIInChI=1S/C17H14ClN3O3S/c18-12-5-6-14-13(9-12)16(15(21-14)17(19)22)25(23,24)8-2-4-11-3-1-7-20-10-11/h1-7,9-10,21H,8H2,(H2,19,22)
InChIKeyCQKLPGIGWGOCDH-UHFFFAOYSA-N
MW375.84 g/mol
LogP2.80
Rot. Bonds5

About 5-chloro-3-(3-pyridin-3-ylprop-2-enylsulfonyl)-1H-indole-2-carboxamide

5-chloro-3-(3-pyridin-3-ylprop-2-enylsulfonyl)-1H-indole-2-carboxamide (PubChem CID 174388500) has the molecular formula C17H14ClN3O3S and a molecular weight of 375.84 g/mol. Its IUPAC name is 5-chloro-3-(3-pyridin-3-ylprop-2-enylsulfonyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(3-pyridin-3-ylprop-2-enylsulfonyl)-1H-indole-2-carboxamide
PubChem CID174388500
Molecular FormulaC17H14ClN3O3S
Molecular Weight375.84 g/mol
Exact Mass375.04
IUPAC Name5-chloro-3-(3-pyridin-3-ylprop-2-enylsulfonyl)-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)CC=Cc1cccnc1
InChIInChI=1S/C17H14ClN3O3S/c18-12-5-6-14-13(9-12)16(15(21-14)17(19)22)25(23,24)8-2-4-11-3-1-7-20-10-11/h1-7,9-10,21H,8H2,(H2,19,22)
InChIKeyCQKLPGIGWGOCDH-UHFFFAOYSA-N
XLogP2.80
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-pyridin-3-ylprop-2-enylsulfonyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-(3-pyridin-3-ylprop-2-enylsulfonyl)-1H-indole-2-carboxamide (CID 174388500) is 5-chloro-3-(3-pyridin-3-ylprop-2-enylsulfonyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-(3-pyridin-3-ylprop-2-enylsulfonyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-(3-pyridin-3-ylprop-2-enylsulfonyl)-1H-indole-2-carboxamide is NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)CC=Cc1cccnc1.
What is the InChIKey of 5-chloro-3-(3-pyridin-3-ylprop-2-enylsulfonyl)-1H-indole-2-carboxamide?
The InChIKey is CQKLPGIGWGOCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3S/c18-12-5-6-14-13(9-12)16(15(21-14)17(19)22)25(23,24)8-2-4-11-3-1-7-20-10-11/h1-7,9-10,21H,8H2,(H2,19,22).
What are the key properties of 5-chloro-3-(3-pyridin-3-ylprop-2-enylsulfonyl)-1H-indole-2-carboxamide?
5-chloro-3-(3-pyridin-3-ylprop-2-enylsulfonyl)-1H-indole-2-carboxamide has a molecular weight of 375.84 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-pyridin-3-ylprop-2-enylsulfonyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 174388500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).