3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide

C26H24ClN3O3S — CID 11156148

IUPAC3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c[nH]c12
InChIInChI=1S/C26H24ClN3O3S/c27-20-6-8-21(9-7-20)34(32,33)30-12-10-18(11-13-30)24-16-29-25-22(24)14-19(15-23(25)26(28)31)17-4-2-1-3-5-17/h1-9,14-16,18,29H,10-13H2,(H2,28,31)
InChIKeyBMOPCAUVXKIAKQ-UHFFFAOYSA-N
MW494.02 g/mol
LogP5.16
Rot. Bonds5

About 3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide

3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide (PubChem CID 11156148) has the molecular formula C26H24ClN3O3S and a molecular weight of 494.02 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
PubChem CID11156148
Molecular FormulaC26H24ClN3O3S
Molecular Weight494.02 g/mol
Exact Mass493.12
IUPAC Name3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c[nH]c12
InChIInChI=1S/C26H24ClN3O3S/c27-20-6-8-21(9-7-20)34(32,33)30-12-10-18(11-13-30)24-16-29-25-22(24)14-19(15-23(25)26(28)31)17-4-2-1-3-5-17/h1-9,14-16,18,29H,10-13H2,(H2,28,31)
InChIKeyBMOPCAUVXKIAKQ-UHFFFAOYSA-N
XLogP5.16
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.02
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

IKK-beta inhibitor R-28
CID 59332591
N-(benzenesulfonyl)-3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-indole-7-carboxamide
CID 507844
5-phenyl-3-(3-piperidinyl)-1H-indole-7-carboxamide
CID 11186250
5-phenyl-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
CID 11304835
3-[1-(ethanesulfonyl)-4-piperidinyl]-5-phenyl-1H-indole-7-carboxamide
CID 11350427
5-Phenyl-3-(4-piperidinyl)-1H-indole-7-carboxamide
CID 11427162
5-phenyl-3-[1-(propylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide
CID 11453049
3-(1-{[2-(dimethylamino)ethyl]sulfonyl}-4-piperidinyl)-5-phenyl-1H-indole-7-carboxamide
CID 11496203
5-phenyl-3-(1-{[3-(1-piperidinyl)propyl]sulfonyl}-4-piperidinyl)-1H-indole-7-carboxamide
CID 11555269
3-{1-[(2-aminoethyl)sulfonyl]-4-piperidinyl}-5-phenyl-1H-indole-7-carboxamide
CID 11611619
5-phenyl-3-(1-{[3-(1-pyrrolidinyl)propyl]sulfonyl}-4-piperidinyl)-1H-indole-7-carboxamide
CID 11705934
3-(1,1-Dioxidotetrahydro-2H-thiopyran-4-yl)-5-phenyl-1H-indole-7-carboxamide
CID 24944518

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The IUPAC name of 3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide (CID 11156148) is 3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The canonical SMILES for 3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide is NC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c[nH]c12.
What is the InChIKey of 3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
The InChIKey is BMOPCAUVXKIAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3S/c27-20-6-8-21(9-7-20)34(32,33)30-12-10-18(11-13-30)24-16-29-25-22(24)14-19(15-23(25)26(28)31)17-4-2-1-3-5-17/h1-9,14-16,18,29H,10-13H2,(H2,28,31).
What are the key properties of 3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide?
3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide has a molecular weight of 494.02 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1H-indole-7-carboxamide is sourced from PubChem (CID 11156148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).