N-(2-hydroxycyclopentyl)-3-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C26H23F3N4O4S — CID 68927525

IUPACN-(2-hydroxycyclopentyl)-3-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(NC1CCCC1O)c1[nH]c2ncc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2c1-c1ccccc1
InChIInChI=1S/C26H23F3N4O4S/c27-26(28,29)16-9-11-18(12-10-16)38(36,37)33-17-13-19-22(15-5-2-1-3-6-15)23(32-24(19)30-14-17)25(35)31-20-7-4-8-21(20)34/h1-3,5-6,9-14,20-21,33-34H,4,7-8H2,(H,30,32)(H,31,35)
InChIKeyWKCJWXSKYPJXJP-UHFFFAOYSA-N
MW544.56 g/mol
LogP4.69
Rot. Bonds6

About N-(2-hydroxycyclopentyl)-3-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-(2-hydroxycyclopentyl)-3-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 68927525) has the molecular formula C26H23F3N4O4S and a molecular weight of 544.56 g/mol. Its IUPAC name is N-(2-hydroxycyclopentyl)-3-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclopentyl)-3-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID68927525
Molecular FormulaC26H23F3N4O4S
Molecular Weight544.56 g/mol
Exact Mass544.14
IUPAC NameN-(2-hydroxycyclopentyl)-3-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(NC1CCCC1O)c1[nH]c2ncc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2c1-c1ccccc1
InChIInChI=1S/C26H23F3N4O4S/c27-26(28,29)16-9-11-18(12-10-16)38(36,37)33-17-13-19-22(15-5-2-1-3-6-15)23(32-24(19)30-14-17)25(35)31-20-7-4-8-21(20)34/h1-3,5-6,9-14,20-21,33-34H,4,7-8H2,(H,30,32)(H,31,35)
InChIKeyWKCJWXSKYPJXJP-UHFFFAOYSA-N
XLogP4.69
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.56
LogP ≤ 54.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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5-[(4-tert-butylphenyl)sulfonylamino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-phenyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
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N-(1-benzylpiperidin-4-yl)-5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indole-2-carboxamide
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5-[(4-tert-butylphenyl)sulfonylamino]-N-cyclopentyl-3-phenyl-1-benzothiophene-2-carboxamide
CID 58770293
5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxan-4-yl)-3-pyridin-3-yl-1H-indole-2-carboxamide
CID 11599028
5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-3-phenyl-1H-indole-2-carboxamide
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4-tert-butyl-N-[2-[3-(cyclopropylmethyl)but-3-enoyl]-3-phenyl-1H-indol-5-yl]benzenesulfonamide
CID 143202698
N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclopentyl)-3-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(2-hydroxycyclopentyl)-3-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 68927525) is N-(2-hydroxycyclopentyl)-3-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclopentyl)-3-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(2-hydroxycyclopentyl)-3-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is O=C(NC1CCCC1O)c1[nH]c2ncc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2c1-c1ccccc1.
What is the InChIKey of N-(2-hydroxycyclopentyl)-3-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is WKCJWXSKYPJXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O4S/c27-26(28,29)16-9-11-18(12-10-16)38(36,37)33-17-13-19-22(15-5-2-1-3-6-15)23(32-24(19)30-14-17)25(35)31-20-7-4-8-21(20)34/h1-3,5-6,9-14,20-21,33-34H,4,7-8H2,(H,30,32)(H,31,35).
What are the key properties of N-(2-hydroxycyclopentyl)-3-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-(2-hydroxycyclopentyl)-3-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 544.56 g/mol, XLogP of 4.69, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclopentyl)-3-phenyl-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 68927525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).