5-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide

C21H22FN3O3S — CID 171536169

IUPAC5-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)n1ccc2cc(F)ccc21
InChIInChI=1S/C21H22FN3O3S/c22-18-6-9-20-17(14-18)10-13-25(20)21(26)23-15-16-4-7-19(8-5-16)29(27,28)24-11-2-1-3-12-24/h4-10,13-14H,1-3,11-12,15H2,(H,23,26)
InChIKeyPWURIZWUQQLABF-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.71
Rot. Bonds4

About 5-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide

5-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide (PubChem CID 171536169) has the molecular formula C21H22FN3O3S and a molecular weight of 415.49 g/mol. Its IUPAC name is 5-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide
PubChem CID171536169
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC Name5-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)n1ccc2cc(F)ccc21
InChIInChI=1S/C21H22FN3O3S/c22-18-6-9-20-17(14-18)10-13-25(20)21(26)23-15-16-4-7-19(8-5-16)29(27,28)24-11-2-1-3-12-24/h4-10,13-14H,1-3,11-12,15H2,(H,23,26)
InChIKeyPWURIZWUQQLABF-UHFFFAOYSA-N
XLogP3.71
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(nitrosomethyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide
CID 171536131
N-[[4-(azepan-1-ylsulfonyl)phenyl]methyl]indole-1-carboxamide
CID 171536260
N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indole-1-carboxamide
CID 171536240
3-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 18116547
3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248733
2-[4-(azepan-1-ylsulfonyl)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 31054392
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-fluorophenyl)methyl]acetamide
CID 28554565
2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108759219
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111902388
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880
1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide
CID 55530270
2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 17248916

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide?
The IUPAC name of 5-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide (CID 171536169) is 5-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide?
The canonical SMILES for 5-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)n1ccc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide?
The InChIKey is PWURIZWUQQLABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c22-18-6-9-20-17(14-18)10-13-25(20)21(26)23-15-16-4-7-19(8-5-16)29(27,28)24-11-2-1-3-12-24/h4-10,13-14H,1-3,11-12,15H2,(H,23,26).
What are the key properties of 5-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide?
5-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]indole-1-carboxamide is sourced from PubChem (CID 171536169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).