N-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide

C22H25N3O5S2 — CID 135348385

IUPACN-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)ccc1OC
InChIInChI=1S/C22H25N3O5S2/c1-4-11-32(28,29)25-20-13-16(7-10-21(20)30-2)19-12-17(14-24-22(19)23)15-5-8-18(9-6-15)31(3,26)27/h5-10,12-14,25H,4,11H2,1-3H3,(H2,23,24)
InChIKeyNVZUDUPSDVPARC-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.56
Rot. Bonds8

About N-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide

N-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide (PubChem CID 135348385) has the molecular formula C22H25N3O5S2 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide
PubChem CID135348385
Molecular FormulaC22H25N3O5S2
Molecular Weight475.59 g/mol
Exact Mass475.12
IUPAC NameN-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)ccc1OC
InChIInChI=1S/C22H25N3O5S2/c1-4-11-32(28,29)25-20-13-16(7-10-21(20)30-2)19-12-17(14-24-22(19)23)15-5-8-18(9-6-15)31(3,26)27/h5-10,12-14,25H,4,11H2,1-3H3,(H2,23,24)
InChIKeyNVZUDUPSDVPARC-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

Analyze N-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide
CID 133053558
3-(6-Methoxy-3-pyridyl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 44525560
5-(3-Fluoro-4-methylsulfonyl-phenyl)-3-(6-methoxy-3-pyridyl)pyridin-2-amine
CID 53311568
5-(4-Methylsulfonylphenyl)-3-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 53311304
N-(5-(2-Amino-5-(4-(piperazin-1-yl)phenyl)pyridin-3-yl)-3-fluoro-2-methoxyphenyl)propane-1-sulfonamide
CID 134817210
N-[5-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide
CID 135348349
N-[5-[2-amino-5-(3-piperazin-1-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
CID 146306964
N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methoxy-3-methylphenyl]propane-1-sulfonamide
CID 146306969
3-(6-Methoxy-3-pyridyl)-5-(3-methylsulfonylphenyl)pyridin-2-amine
CID 53312147
4-[(4-propoxybenzylidene)amino]-N-(2-pyridinyl)benzenesulfonamide
CID 1823125
4-[(4-methoxyphenyl)methylideneamino]-N-pyridin-2-ylbenzenesulfonamide
CID 45113143
3-[4-(Methoxymethoxy)phenyl]-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 155561849

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide?
The IUPAC name of N-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide (CID 135348385) is N-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide?
The canonical SMILES for N-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)ccc1OC.
What is the InChIKey of N-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide?
The InChIKey is NVZUDUPSDVPARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S2/c1-4-11-32(28,29)25-20-13-16(7-10-21(20)30-2)19-12-17(14-24-22(19)23)15-5-8-18(9-6-15)31(3,26)27/h5-10,12-14,25H,4,11H2,1-3H3,(H2,23,24).
What are the key properties of N-[5-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide?
N-[5-[2-amino-5-(4-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-(4-methylsulfonylphenyl)-3-pyridinyl]-2-methoxyphenyl]propane-1-sulfonamide is sourced from PubChem (CID 135348385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).