N-(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(4-hydroxycyclohexyl)benzenesulfonamide

C19H22N4O3S — CID 67343248

IUPACN-(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(4-hydroxycyclohexyl)benzenesulfonamide
SMILESNc1cnc2[nH]ccc2c1N(C1CCC(O)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22N4O3S/c20-17-12-22-19-16(10-11-21-19)18(17)23(13-6-8-14(24)9-7-13)27(25,26)15-4-2-1-3-5-15/h1-5,10-14,24H,6-9,20H2,(H,21,22)
InChIKeyJGOCQTGGJFXMTM-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.64
Rot. Bonds4

About N-(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(4-hydroxycyclohexyl)benzenesulfonamide

N-(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(4-hydroxycyclohexyl)benzenesulfonamide (PubChem CID 67343248) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(4-hydroxycyclohexyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(4-hydroxycyclohexyl)benzenesulfonamide
PubChem CID67343248
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(4-hydroxycyclohexyl)benzenesulfonamide
SMILESNc1cnc2[nH]ccc2c1N(C1CCC(O)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22N4O3S/c20-17-12-22-19-16(10-11-21-19)18(17)23(13-6-8-14(24)9-7-13)27(25,26)15-4-2-1-3-5-15/h1-5,10-14,24H,6-9,20H2,(H,21,22)
InChIKeyJGOCQTGGJFXMTM-UHFFFAOYSA-N
XLogP2.64
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(4-hydroxycyclohexyl)benzenesulfonamide?
The IUPAC name of N-(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(4-hydroxycyclohexyl)benzenesulfonamide (CID 67343248) is N-(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(4-hydroxycyclohexyl)benzenesulfonamide.
What is the SMILES notation for N-(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(4-hydroxycyclohexyl)benzenesulfonamide?
The canonical SMILES for N-(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(4-hydroxycyclohexyl)benzenesulfonamide is Nc1cnc2[nH]ccc2c1N(C1CCC(O)CC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(4-hydroxycyclohexyl)benzenesulfonamide?
The InChIKey is JGOCQTGGJFXMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c20-17-12-22-19-16(10-11-21-19)18(17)23(13-6-8-14(24)9-7-13)27(25,26)15-4-2-1-3-5-15/h1-5,10-14,24H,6-9,20H2,(H,21,22).
What are the key properties of N-(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(4-hydroxycyclohexyl)benzenesulfonamide?
N-(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(4-hydroxycyclohexyl)benzenesulfonamide has a molecular weight of 386.48 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(4-hydroxycyclohexyl)benzenesulfonamide is sourced from PubChem (CID 67343248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).