4-amino-N-[1-(4-chlorophenyl)-2-sulfamoylethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

C20H24ClN7O3S — CID 42602351

IUPAC4-amino-N-[1-(4-chlorophenyl)-2-sulfamoylethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC1(C(=O)NC(CS(N)(=O)=O)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C20H24ClN7O3S/c21-14-3-1-13(2-4-14)16(11-32(23,30)31)27-19(29)20(22)6-9-28(10-7-20)18-15-5-8-24-17(15)25-12-26-18/h1-5,8,12,16H,6-7,9-11,22H2,(H,27,29)(H2,23,30,31)(H,24,25,26)
InChIKeyIWLDWBJBHVPZRX-UHFFFAOYSA-N
MW477.98 g/mol
LogP1.05
Rot. Bonds6

About 4-amino-N-[1-(4-chlorophenyl)-2-sulfamoylethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

4-amino-N-[1-(4-chlorophenyl)-2-sulfamoylethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 42602351) has the molecular formula C20H24ClN7O3S and a molecular weight of 477.98 g/mol. Its IUPAC name is 4-amino-N-[1-(4-chlorophenyl)-2-sulfamoylethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-chlorophenyl)-2-sulfamoylethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID42602351
Molecular FormulaC20H24ClN7O3S
Molecular Weight477.98 g/mol
Exact Mass477.13
IUPAC Name4-amino-N-[1-(4-chlorophenyl)-2-sulfamoylethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC1(C(=O)NC(CS(N)(=O)=O)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C20H24ClN7O3S/c21-14-3-1-13(2-4-14)16(11-32(23,30)31)27-19(29)20(22)6-9-28(10-7-20)18-15-5-8-24-17(15)25-12-26-18/h1-5,8,12,16H,6-7,9-11,22H2,(H,27,29)(H2,23,30,31)(H,24,25,26)
InChIKeyIWLDWBJBHVPZRX-UHFFFAOYSA-N
XLogP1.05
TPSA160.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.98
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-amino-N-[1-(4-chlorophenyl)-2-sulfamoylethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-chlorophenyl)-2-sulfamoylethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 4-amino-N-[1-(4-chlorophenyl)-2-sulfamoylethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 42602351) is 4-amino-N-[1-(4-chlorophenyl)-2-sulfamoylethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(4-chlorophenyl)-2-sulfamoylethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-amino-N-[1-(4-chlorophenyl)-2-sulfamoylethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is NC1(C(=O)NC(CS(N)(=O)=O)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1.
What is the InChIKey of 4-amino-N-[1-(4-chlorophenyl)-2-sulfamoylethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is IWLDWBJBHVPZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN7O3S/c21-14-3-1-13(2-4-14)16(11-32(23,30)31)27-19(29)20(22)6-9-28(10-7-20)18-15-5-8-24-17(15)25-12-26-18/h1-5,8,12,16H,6-7,9-11,22H2,(H,27,29)(H2,23,30,31)(H,24,25,26).
What are the key properties of 4-amino-N-[1-(4-chlorophenyl)-2-sulfamoylethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
4-amino-N-[1-(4-chlorophenyl)-2-sulfamoylethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 477.98 g/mol, XLogP of 1.05, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-chlorophenyl)-2-sulfamoylethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 42602351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).