N-[2-(pyrimidin-5-ylmethylamino)phenyl]methanesulfonamide

C12H14N4O2S — CID 62759740

IUPACN-[2-(pyrimidin-5-ylmethylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1NCc1cncnc1
InChIInChI=1S/C12H14N4O2S/c1-19(17,18)16-12-5-3-2-4-11(12)15-8-10-6-13-9-14-7-10/h2-7,9,15-16H,8H2,1H3
InChIKeyNVQUOEGHDCYJPY-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.46
Rot. Bonds5

About N-[2-(pyrimidin-5-ylmethylamino)phenyl]methanesulfonamide

N-[2-(pyrimidin-5-ylmethylamino)phenyl]methanesulfonamide (PubChem CID 62759740) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[2-(pyrimidin-5-ylmethylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(pyrimidin-5-ylmethylamino)phenyl]methanesulfonamide
PubChem CID62759740
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-[2-(pyrimidin-5-ylmethylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1NCc1cncnc1
InChIInChI=1S/C12H14N4O2S/c1-19(17,18)16-12-5-3-2-4-11(12)15-8-10-6-13-9-14-7-10/h2-7,9,15-16H,8H2,1H3
InChIKeyNVQUOEGHDCYJPY-UHFFFAOYSA-N
XLogP1.46
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-3-ylmethylamino)phenyl]methanesulfonamide
CID 63204687
2-(pyrimidin-5-ylmethylamino)benzoic acid
CID 62758765
N-[2-(2,2-dimethylpropylamino)phenyl]methanesulfonamide
CID 61324135
[2-(pyrimidin-5-ylmethylamino)phenyl]methanol
CID 62759551
N-[2-[(1-propylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide
CID 66414174
2-fluoro-5-methylsulfonyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62760465
N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]methanesulfonamide
CID 43744046
N-[2-[(1-methylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide
CID 62131328
2,3-difluoro-N-(pyrimidin-5-ylmethyl)aniline
CID 62759371
N-[2-[(3-methoxy-3-methylbutyl)amino]phenyl]methanesulfonamide
CID 106675317
3-chloro-2-methyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62760794
3-methylsulfonyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62758794

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyrimidin-5-ylmethylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(pyrimidin-5-ylmethylamino)phenyl]methanesulfonamide (CID 62759740) is N-[2-(pyrimidin-5-ylmethylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(pyrimidin-5-ylmethylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(pyrimidin-5-ylmethylamino)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1NCc1cncnc1.
What is the InChIKey of N-[2-(pyrimidin-5-ylmethylamino)phenyl]methanesulfonamide?
The InChIKey is NVQUOEGHDCYJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-19(17,18)16-12-5-3-2-4-11(12)15-8-10-6-13-9-14-7-10/h2-7,9,15-16H,8H2,1H3.
What are the key properties of N-[2-(pyrimidin-5-ylmethylamino)phenyl]methanesulfonamide?
N-[2-(pyrimidin-5-ylmethylamino)phenyl]methanesulfonamide has a molecular weight of 278.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyrimidin-5-ylmethylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 62759740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).