N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide

C13H15N3O2S — CID 43725280

IUPACN-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NCc2ccncc2)cc1
InChIInChI=1S/C13H15N3O2S/c1-19(17,18)16-13-4-2-12(3-5-13)15-10-11-6-8-14-9-7-11/h2-9,15-16H,10H2,1H3
InChIKeyXWUDOHJKUSZISF-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.07
Rot. Bonds5

About N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide

N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide (PubChem CID 43725280) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide
PubChem CID43725280
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NCc2ccncc2)cc1
InChIInChI=1S/C13H15N3O2S/c1-19(17,18)16-13-4-2-12(3-5-13)15-10-11-6-8-14-9-7-11/h2-9,15-16H,10H2,1H3
InChIKeyXWUDOHJKUSZISF-UHFFFAOYSA-N
XLogP2.07
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide
CID 56920768
N-[4-(pyridin-4-ylmethylamino)phenyl]propane-1-sulfonamide
CID 112983175
1-[4-(methanesulfonamido)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 108875244
N-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 23545958
N-[4-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide
CID 62761582
N-[4-(hydrazinylmethyl)phenyl]methanesulfonamide
CID 67149033
1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744357
[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744908
4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
CID 29036567
4-nitro-N-(pyridin-4-ylmethyl)aniline
CID 3927656
N-[4-[(4-bromo-3-fluorophenyl)methylamino]phenyl]methanesulfonamide
CID 81431279
2-methyl-1-[4-(pyridin-4-ylmethylamino)phenyl]propan-1-one
CID 95463722

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide (CID 43725280) is N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(NCc2ccncc2)cc1.
What is the InChIKey of N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide?
The InChIKey is XWUDOHJKUSZISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-19(17,18)16-13-4-2-12(3-5-13)15-10-11-6-8-14-9-7-11/h2-9,15-16H,10H2,1H3.
What are the key properties of N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide?
N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 43725280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).