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

C22H25N3O5S2 — CID 135348482

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

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

N-[3-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-1-sulfonamide (PubChem CID 135348482) has the molecular formula C22H25N3O5S2 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[3-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-1-sulfonamide
PubChem CID135348482
Molecular FormulaC22H25N3O5S2
Molecular Weight475.59 g/mol
Exact Mass475.12
IUPAC NameN-[3-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(OC)cc(-c2cc(-c3cccc(S(C)(=O)=O)c3)cnc2N)c1
InChIInChI=1S/C22H25N3O5S2/c1-4-8-32(28,29)25-18-9-16(10-19(13-18)30-2)21-12-17(14-24-22(21)23)15-6-5-7-20(11-15)31(3,26)27/h5-7,9-14,25H,4,8H2,1-3H3,(H2,23,24)
InChIKeyULXLZFPCOBOEDA-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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Related Compounds

N-[5-[2-amino-5-(3-piperazin-1-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
CID 146306964
3-(2-methoxypyrimidin-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311217
3-[4-(methoxymethoxy)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 155561849
6-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 161005705
3-[6-amino-5-(3,5-dimethoxyphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 58238273
N-(3-methylsulfonylphenyl)butane-1-sulfonamide
CID 110779460
N-[5-(2-amino-5-bromo-3-pyridinyl)-3-methoxy-2-methylphenyl]propane-1-sulfonamide
CID 146306977
N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-chlorophenyl]propane-1-sulfonamide
CID 135348302
N-[5-[2-amino-5-(4-piperidin-4-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
CID 170409748
7-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)isoquinolin-1-amine
CID 44527377
N-[5-[2-amino-5-[4-(1-methylpiperidin-4-yl)phenyl]-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
CID 170345964
N-(3-methoxyphenyl)nonane-1-sulfonamide
CID 43833954

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-1-sulfonamide (CID 135348482) is N-[3-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(OC)cc(-c2cc(-c3cccc(S(C)(=O)=O)c3)cnc2N)c1.
What is the InChIKey of N-[3-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-1-sulfonamide?
The InChIKey is ULXLZFPCOBOEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S2/c1-4-8-32(28,29)25-18-9-16(10-19(13-18)30-2)21-12-17(14-24-22(21)23)15-6-5-7-20(11-15)31(3,26)27/h5-7,9-14,25H,4,8H2,1-3H3,(H2,23,24).
What are the key properties of N-[3-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-1-sulfonamide?
N-[3-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-5-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-[3-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-1-sulfonamide is sourced from PubChem (CID 135348482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).