N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]methanesulfonamide

C23H27N5O3S — CID 135348339

IUPACN-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1
InChIInChI=1S/C23H27N5O3S/c1-31-21-12-17(11-19(14-21)27-32(2,29)30)22-13-18(15-26-23(22)24)16-3-5-20(6-4-16)28-9-7-25-8-10-28/h3-6,11-15,25,27H,7-10H2,1-2H3,(H2,24,26)
InChIKeyWTNLXMJMLHJDKF-UHFFFAOYSA-N
MW453.57 g/mol
LogP2.79
Rot. Bonds6

About N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]methanesulfonamide

N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]methanesulfonamide (PubChem CID 135348339) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]methanesulfonamide
PubChem CID135348339
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC NameN-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]methanesulfonamide
SMILESCOc1cc(NS(C)(=O)=O)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1
InChIInChI=1S/C23H27N5O3S/c1-31-21-12-17(11-19(14-21)27-32(2,29)30)22-13-18(15-26-23(22)24)16-3-5-20(6-4-16)28-9-7-25-8-10-28/h3-6,11-15,25,27H,7-10H2,1-2H3,(H2,24,26)
InChIKeyWTNLXMJMLHJDKF-UHFFFAOYSA-N
XLogP2.79
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide
CID 133053558
N-(5-(2-Amino-5-(4-(piperazin-1-yl)phenyl)pyridin-3-yl)-2,3-dimethoxyphenyl)propane-1-sulfonamide
CID 134817211
N-[4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]phenyl]methanesulfonamide
CID 71461081
5-(4-Piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 91933902
5-(3-Piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 118392555
5-(4-Piperazin-1-ylphenyl)-3-(3-propan-2-yloxyphenyl)pyridin-2-amine
CID 118392559
3-(3,4-Dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118392566
3-(3-Methoxy-4-methylphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118392567
3-(3-Methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118392573
3-(3,5-Dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118716165
N-(5-(2-Amino-5-(4-(piperazin-1-yl)phenyl)pyridin-3-yl)-3-fluoro-2-methoxyphenyl)propane-1-sulfonamide
CID 134817210
N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-1-sulfonamide
CID 135348299

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]methanesulfonamide (CID 135348339) is N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]methanesulfonamide is COc1cc(NS(C)(=O)=O)cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1.
What is the InChIKey of N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]methanesulfonamide?
The InChIKey is WTNLXMJMLHJDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-31-21-12-17(11-19(14-21)27-32(2,29)30)22-13-18(15-26-23(22)24)16-3-5-20(6-4-16)28-9-7-25-8-10-28/h3-6,11-15,25,27H,7-10H2,1-2H3,(H2,24,26).
What are the key properties of N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]methanesulfonamide?
N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]methanesulfonamide has a molecular weight of 453.57 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-methoxyphenyl]methanesulfonamide is sourced from PubChem (CID 135348339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).