5-chloro-1-cyclobutyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide

C21H20ClF3N4O3S — CID 66733534

IUPAC5-chloro-1-cyclobutyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
SMILESC[C@H](NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(Cl)ccc3n2C2CCC2)nc1)C(F)(F)F
InChIInChI=1S/C21H20ClF3N4O3S/c1-11(21(23,24)25)28-33(31,32)14-6-7-16(27-10-14)19-18(20(26)30)15-9-12(22)5-8-17(15)29(19)13-3-2-4-13/h5-11,13,28H,2-4H2,1H3,(H2,26,30)/t11-/m0/s1
InChIKeyJYKPRCPEAGNDLK-NSHDSACASA-N
MW500.93 g/mol
LogP4.41
Rot. Bonds6

About 5-chloro-1-cyclobutyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide

5-chloro-1-cyclobutyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide (PubChem CID 66733534) has the molecular formula C21H20ClF3N4O3S and a molecular weight of 500.93 g/mol. Its IUPAC name is 5-chloro-1-cyclobutyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-cyclobutyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
PubChem CID66733534
Molecular FormulaC21H20ClF3N4O3S
Molecular Weight500.93 g/mol
Exact Mass500.09
IUPAC Name5-chloro-1-cyclobutyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
SMILESC[C@H](NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(Cl)ccc3n2C2CCC2)nc1)C(F)(F)F
InChIInChI=1S/C21H20ClF3N4O3S/c1-11(21(23,24)25)28-33(31,32)14-6-7-16(27-10-14)19-18(20(26)30)15-9-12(22)5-8-17(15)29(19)13-3-2-4-13/h5-11,13,28H,2-4H2,1H3,(H2,26,30)/t11-/m0/s1
InChIKeyJYKPRCPEAGNDLK-NSHDSACASA-N
XLogP4.41
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.93
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-chloro-3-cyano-1-cyclobutyl-indol-2-yl)-N-isopropyl-pyridine-3-sulfonamide
CID 46940601
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CID 118322358
(Z)-5-(1-(4-amino-2-fluorobut-2-en-1-yl)-5-chloro-2-methyl-1H-indol-3-yl)pyridine-3-sulfonamide
CID 130302607
(Z)-5-(1-(4-amino-2-fluorobut-2-en-1-yl)-5-chloro-2-methyl-1H-indol-3-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 130302671
(Z)-5-(1-(4-amino-2-fluorobut-2-en-1-yl)-5-chloro-1H-indol-3-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 130302693
(Z)-5-(1-(4-amino-2-fluorobut-2-en-1-yl)-5-chloro-2-methyl-1H-indol-3-yl)-N-methylpyridine-3-sulfonamide
CID 130302737
1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-3-carboxamide
CID 168272533
2-{4-[4-Chloro-2-(pyridine-4-carbonyl)-phenylsulfamoyl]-phenyl}-indole-1-carboxylic acid tert-butyl ester
CID 59788590
1-[2-[[2-[(3-Chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indole-3-carboxamide
CID 130299769
{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}(1-methyl-1H-indol-3-yl)methanone
CID 26263689
(1-Benzylindol-3-yl)-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 137636110
[4-(2,4-Difluorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-cyclobutyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?
The IUPAC name of 5-chloro-1-cyclobutyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide (CID 66733534) is 5-chloro-1-cyclobutyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide.
What is the SMILES notation for 5-chloro-1-cyclobutyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?
The canonical SMILES for 5-chloro-1-cyclobutyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide is C[C@H](NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(Cl)ccc3n2C2CCC2)nc1)C(F)(F)F.
What is the InChIKey of 5-chloro-1-cyclobutyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?
The InChIKey is JYKPRCPEAGNDLK-NSHDSACASA-N. The full InChI is InChI=1S/C21H20ClF3N4O3S/c1-11(21(23,24)25)28-33(31,32)14-6-7-16(27-10-14)19-18(20(26)30)15-9-12(22)5-8-17(15)29(19)13-3-2-4-13/h5-11,13,28H,2-4H2,1H3,(H2,26,30)/t11-/m0/s1.
What are the key properties of 5-chloro-1-cyclobutyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?
5-chloro-1-cyclobutyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide has a molecular weight of 500.93 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-cyclobutyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide is sourced from PubChem (CID 66733534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).