5-chloro-3-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]sulfonyl-1H-indole-2-carboxamide

C24H24ClF3N4O5S2 — CID 57445057

IUPAC5-chloro-3-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]sulfonyl-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H24ClF3N4O5S2/c25-15-4-7-20-19(13-15)22(21(30-20)23(29)33)39(36,37)31-10-8-17(9-11-31)32(16-5-6-16)38(34,35)18-3-1-2-14(12-18)24(26,27)28/h1-4,7,12-13,16-17,30H,5-6,8-11H2,(H2,29,33)
InChIKeySKRXUYVDQGVYAN-UHFFFAOYSA-N
MW605.06 g/mol
LogP3.95
Rot. Bonds7

About 5-chloro-3-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]sulfonyl-1H-indole-2-carboxamide

5-chloro-3-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]sulfonyl-1H-indole-2-carboxamide (PubChem CID 57445057) has the molecular formula C24H24ClF3N4O5S2 and a molecular weight of 605.06 g/mol. Its IUPAC name is 5-chloro-3-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]sulfonyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]sulfonyl-1H-indole-2-carboxamide
PubChem CID57445057
Molecular FormulaC24H24ClF3N4O5S2
Molecular Weight605.06 g/mol
Exact Mass604.08
IUPAC Name5-chloro-3-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]sulfonyl-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H24ClF3N4O5S2/c25-15-4-7-20-19(13-15)22(21(30-20)23(29)33)39(36,37)31-10-8-17(9-11-31)32(16-5-6-16)38(34,35)18-3-1-2-14(12-18)24(26,27)28/h1-4,7,12-13,16-17,30H,5-6,8-11H2,(H2,29,33)
InChIKeySKRXUYVDQGVYAN-UHFFFAOYSA-N
XLogP3.95
TPSA133.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500605.06
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-acetylpiperazin-1-yl)sulfonyl-5-chloro-1H-indole-2-carboxamide
CID 10068626
N-[1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide
CID 23641889
2-methoxyethyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 23642055
5-chloro-3-[methyl(oxan-4-yl)sulfamoyl]-1H-indole-2-carboxamide
CID 10067849
N-(2,5-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26086131
5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide
CID 506869
ethyl 2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-2-methylpropanoate
CID 59614786
N-cyclopropyl-N-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 23642157
(3-chlorophenyl)methyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 46791128
2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 24883189
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chlorophenyl)sulfonyl-cyclopropylamino]piperidin-1-yl]acetamide
CID 24883153
methyl 2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]benzoate
CID 25235371

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]sulfonyl-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]sulfonyl-1H-indole-2-carboxamide (CID 57445057) is 5-chloro-3-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]sulfonyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]sulfonyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]sulfonyl-1H-indole-2-carboxamide is NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 5-chloro-3-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]sulfonyl-1H-indole-2-carboxamide?
The InChIKey is SKRXUYVDQGVYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N4O5S2/c25-15-4-7-20-19(13-15)22(21(30-20)23(29)33)39(36,37)31-10-8-17(9-11-31)32(16-5-6-16)38(34,35)18-3-1-2-14(12-18)24(26,27)28/h1-4,7,12-13,16-17,30H,5-6,8-11H2,(H2,29,33).
What are the key properties of 5-chloro-3-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]sulfonyl-1H-indole-2-carboxamide?
5-chloro-3-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]sulfonyl-1H-indole-2-carboxamide has a molecular weight of 605.06 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]sulfonyl-1H-indole-2-carboxamide is sourced from PubChem (CID 57445057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).