7-(2-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine

C23H23ClN6O2S — CID 171351055

IUPAC7-(2-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCN1CCN(c2ccc(Nc3ncc4ccn(S(=O)(=O)c5ccccc5Cl)c4n3)cc2)CC1
InChIInChI=1S/C23H23ClN6O2S/c1-28-12-14-29(15-13-28)19-8-6-18(7-9-19)26-23-25-16-17-10-11-30(22(17)27-23)33(31,32)21-5-3-2-4-20(21)24/h2-11,16H,12-15H2,1H3,(H,25,26,27)
InChIKeyRFCPPHAPBOHKPX-UHFFFAOYSA-N
MW483.00 g/mol
LogP3.82
Rot. Bonds5

About 7-(2-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine

7-(2-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 171351055) has the molecular formula C23H23ClN6O2S and a molecular weight of 483.00 g/mol. Its IUPAC name is 7-(2-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(2-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID171351055
Molecular FormulaC23H23ClN6O2S
Molecular Weight483.00 g/mol
Exact Mass482.13
IUPAC Name7-(2-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCN1CCN(c2ccc(Nc3ncc4ccn(S(=O)(=O)c5ccccc5Cl)c4n3)cc2)CC1
InChIInChI=1S/C23H23ClN6O2S/c1-28-12-14-29(15-13-28)19-8-6-18(7-9-19)26-23-25-16-17-10-11-30(22(17)27-23)33(31,32)21-5-3-2-4-20(21)24/h2-11,16H,12-15H2,1H3,(H,25,26,27)
InChIKeyRFCPPHAPBOHKPX-UHFFFAOYSA-N
XLogP3.82
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.00
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

CID 23646632
CID 23646632
CID 90469114
CID 90469114
CID 23652981
CID 23652981
CID 67156504
CID 67156504
CID 70648685
CID 70648685
CID 71460978
CID 71460978
CID 135156454
CID 135156454
CID 141461671
CID 141461671
CID 6539030
CID 6539030
CID 23646628
CID 23646628
CID 23646635
CID 23646635
CID 124081169
CID 124081169

Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-(2-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine (CID 171351055) is 7-(2-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-(2-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-(2-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine is CN1CCN(c2ccc(Nc3ncc4ccn(S(=O)(=O)c5ccccc5Cl)c4n3)cc2)CC1.
What is the InChIKey of 7-(2-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is RFCPPHAPBOHKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O2S/c1-28-12-14-29(15-13-28)19-8-6-18(7-9-19)26-23-25-16-17-10-11-30(22(17)27-23)33(31,32)21-5-3-2-4-20(21)24/h2-11,16H,12-15H2,1H3,(H,25,26,27).
What are the key properties of 7-(2-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine?
7-(2-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 483.00 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 171351055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).