3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]-1H-indole-6-carboxamide

C27H26ClN3O4S — CID 11466604

IUPAC3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]-1H-indole-6-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@@H]1CS(=O)(=O)c1ccc(-n2ccccc2=O)cc1)c1ccc2c(Cl)c[nH]c2c1
InChIInChI=1S/C27H26ClN3O4S/c28-23-16-29-25-15-18(8-13-22(23)25)27(33)30-24-6-2-1-5-19(24)17-36(34,35)21-11-9-20(10-12-21)31-14-4-3-7-26(31)32/h3-4,7-16,19,24,29H,1-2,5-6,17H2,(H,30,33)/t19-,24-/m1/s1
InChIKeyZQIRBMMDCSIZMZ-NTKDMRAZSA-N
MW524.04 g/mol
LogP4.73
Rot. Bonds6

About 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]-1H-indole-6-carboxamide

3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]-1H-indole-6-carboxamide (PubChem CID 11466604) has the molecular formula C27H26ClN3O4S and a molecular weight of 524.04 g/mol. Its IUPAC name is 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]-1H-indole-6-carboxamide
PubChem CID11466604
Molecular FormulaC27H26ClN3O4S
Molecular Weight524.04 g/mol
Exact Mass523.13
IUPAC Name3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]-1H-indole-6-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@@H]1CS(=O)(=O)c1ccc(-n2ccccc2=O)cc1)c1ccc2c(Cl)c[nH]c2c1
InChIInChI=1S/C27H26ClN3O4S/c28-23-16-29-25-15-18(8-13-22(23)25)27(33)30-24-6-2-1-5-19(24)17-36(34,35)21-11-9-20(10-12-21)31-14-4-3-7-26(31)32/h3-4,7-16,19,24,29H,1-2,5-6,17H2,(H,30,33)/t19-,24-/m1/s1
InChIKeyZQIRBMMDCSIZMZ-NTKDMRAZSA-N
XLogP4.73
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.04
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]-1H-indole-6-carboxamide?
The IUPAC name of 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]-1H-indole-6-carboxamide (CID 11466604) is 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]-1H-indole-6-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]-1H-indole-6-carboxamide?
The canonical SMILES for 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]-1H-indole-6-carboxamide is O=C(N[C@@H]1CCCC[C@@H]1CS(=O)(=O)c1ccc(-n2ccccc2=O)cc1)c1ccc2c(Cl)c[nH]c2c1.
What is the InChIKey of 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]-1H-indole-6-carboxamide?
The InChIKey is ZQIRBMMDCSIZMZ-NTKDMRAZSA-N. The full InChI is InChI=1S/C27H26ClN3O4S/c28-23-16-29-25-15-18(8-13-22(23)25)27(33)30-24-6-2-1-5-19(24)17-36(34,35)21-11-9-20(10-12-21)31-14-4-3-7-26(31)32/h3-4,7-16,19,24,29H,1-2,5-6,17H2,(H,30,33)/t19-,24-/m1/s1.
What are the key properties of 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]-1H-indole-6-carboxamide?
3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]-1H-indole-6-carboxamide has a molecular weight of 524.04 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)phenyl]sulfonylmethyl]cyclohexyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 11466604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).