N-(3-amino-4-pyridinyl)-N-methyl-2-phenylpropane-1-sulfonamide

C15H19N3O2S — CID 80691123

IUPACN-(3-amino-4-pyridinyl)-N-methyl-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)N(C)c1ccncc1N)c1ccccc1
InChIInChI=1S/C15H19N3O2S/c1-12(13-6-4-3-5-7-13)11-21(19,20)18(2)15-8-9-17-10-14(15)16/h3-10,12H,11,16H2,1-2H3
InChIKeyFUOBSYHPLPOQPH-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.23
Rot. Bonds5

About N-(3-amino-4-pyridinyl)-N-methyl-2-phenylpropane-1-sulfonamide

N-(3-amino-4-pyridinyl)-N-methyl-2-phenylpropane-1-sulfonamide (PubChem CID 80691123) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-N-methyl-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-N-methyl-2-phenylpropane-1-sulfonamide
PubChem CID80691123
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(3-amino-4-pyridinyl)-N-methyl-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)N(C)c1ccncc1N)c1ccccc1
InChIInChI=1S/C15H19N3O2S/c1-12(13-6-4-3-5-7-13)11-21(19,20)18(2)15-8-9-17-10-14(15)16/h3-10,12H,11,16H2,1-2H3
InChIKeyFUOBSYHPLPOQPH-UHFFFAOYSA-N
XLogP2.23
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-pyridinyl)-N,3-dimethylbutane-1-sulfonamide
CID 63856219
3-amino-4-[methyl(sulfamoyl)amino]pyridine
CID 114958702
N-(3-amino-4-pyridinyl)-1,1-difluoro-N-methylmethanesulfonamide
CID 61358244
4-N-(1-aminopropan-2-yl)-4-N-methylpyridine-3,4-diamine
CID 82503805
4-N-(1-methoxypropan-2-yl)-4-N-methylpyridine-3,4-diamine
CID 61450034
N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzenesulfonamide
CID 61360192
4-N-methyl-4-N-(2-phenylsulfanylethyl)pyridine-3,4-diamine
CID 79222292
2-[(3-amino-4-pyridinyl)-methylamino]acetic acid
CID 62253485
N-(3-amino-4-pyridinyl)-2-cyano-N-methylbenzenesulfonamide
CID 61359217
4-N-(1-methylsulfonylpropan-2-yl)pyridine-3,4-diamine
CID 64630420
4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine
CID 65485063
N-(3-amino-4-methylpentyl)-N-methyl-2-phenylpropane-1-sulfonamide
CID 115317658

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-N-methyl-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-N-methyl-2-phenylpropane-1-sulfonamide (CID 80691123) is N-(3-amino-4-pyridinyl)-N-methyl-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-N-methyl-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-N-methyl-2-phenylpropane-1-sulfonamide is CC(CS(=O)(=O)N(C)c1ccncc1N)c1ccccc1.
What is the InChIKey of N-(3-amino-4-pyridinyl)-N-methyl-2-phenylpropane-1-sulfonamide?
The InChIKey is FUOBSYHPLPOQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-12(13-6-4-3-5-7-13)11-21(19,20)18(2)15-8-9-17-10-14(15)16/h3-10,12H,11,16H2,1-2H3.
What are the key properties of N-(3-amino-4-pyridinyl)-N-methyl-2-phenylpropane-1-sulfonamide?
N-(3-amino-4-pyridinyl)-N-methyl-2-phenylpropane-1-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-N-methyl-2-phenylpropane-1-sulfonamide is sourced from PubChem (CID 80691123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).