N-[5-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide

C22H25N3O5S2 — CID 135348349

IUPACN-[5-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(-c2cc(-c3cccc(S(C)(=O)=O)c3)cnc2N)ccc1OC
InChIInChI=1S/C22H25N3O5S2/c1-4-10-32(28,29)25-20-13-16(8-9-21(20)30-2)19-12-17(14-24-22(19)23)15-6-5-7-18(11-15)31(3,26)27/h5-9,11-14,25H,4,10H2,1-3H3,(H2,23,24)
InChIKeyKAEJEDBJAIIDDU-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.56
Rot. Bonds8

About N-[5-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide

N-[5-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide (PubChem CID 135348349) has the molecular formula C22H25N3O5S2 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[5-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide
PubChem CID135348349
Molecular FormulaC22H25N3O5S2
Molecular Weight475.59 g/mol
Exact Mass475.12
IUPAC NameN-[5-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(-c2cc(-c3cccc(S(C)(=O)=O)c3)cnc2N)ccc1OC
InChIInChI=1S/C22H25N3O5S2/c1-4-10-32(28,29)25-20-13-16(8-9-21(20)30-2)19-12-17(14-24-22(19)23)15-6-5-7-18(11-15)31(3,26)27/h5-9,11-14,25H,4,10H2,1-3H3,(H2,23,24)
InChIKeyKAEJEDBJAIIDDU-UHFFFAOYSA-N
XLogP3.56
TPSA128.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide?
The IUPAC name of N-[5-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide (CID 135348349) is N-[5-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[5-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide?
The canonical SMILES for N-[5-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(-c2cc(-c3cccc(S(C)(=O)=O)c3)cnc2N)ccc1OC.
What is the InChIKey of N-[5-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide?
The InChIKey is KAEJEDBJAIIDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S2/c1-4-10-32(28,29)25-20-13-16(8-9-21(20)30-2)19-12-17(14-24-22(19)23)15-6-5-7-18(11-15)31(3,26)27/h5-9,11-14,25H,4,10H2,1-3H3,(H2,23,24).
What are the key properties of N-[5-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide?
N-[5-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide has a molecular weight of 475.59 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide is sourced from PubChem (CID 135348349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).