N-[3-[4-(dimethylamino)pyrimidin-2-yl]phenyl]methanesulfonamide

C13H16N4O2S — CID 3233033

IUPACN-[3-[4-(dimethylamino)pyrimidin-2-yl]phenyl]methanesulfonamide
SMILESCN(C)c1ccnc(-c2cccc(NS(C)(=O)=O)c2)n1
InChIInChI=1S/C13H16N4O2S/c1-17(2)12-7-8-14-13(15-12)10-5-4-6-11(9-10)16-20(3,18)19/h4-9,16H,1-3H3
InChIKeyORBFSUIBUFITAV-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.58
Rot. Bonds4

About N-[3-[4-(dimethylamino)pyrimidin-2-yl]phenyl]methanesulfonamide

N-[3-[4-(dimethylamino)pyrimidin-2-yl]phenyl]methanesulfonamide (PubChem CID 3233033) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)pyrimidin-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)pyrimidin-2-yl]phenyl]methanesulfonamide
PubChem CID3233033
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-[3-[4-(dimethylamino)pyrimidin-2-yl]phenyl]methanesulfonamide
SMILESCN(C)c1ccnc(-c2cccc(NS(C)(=O)=O)c2)n1
InChIInChI=1S/C13H16N4O2S/c1-17(2)12-7-8-14-13(15-12)10-5-4-6-11(9-10)16-20(3,18)19/h4-9,16H,1-3H3
InChIKeyORBFSUIBUFITAV-UHFFFAOYSA-N
XLogP1.58
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)pyrimidin-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-(dimethylamino)pyrimidin-2-yl]phenyl]methanesulfonamide (CID 3233033) is N-[3-[4-(dimethylamino)pyrimidin-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)pyrimidin-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-(dimethylamino)pyrimidin-2-yl]phenyl]methanesulfonamide is CN(C)c1ccnc(-c2cccc(NS(C)(=O)=O)c2)n1.
What is the InChIKey of N-[3-[4-(dimethylamino)pyrimidin-2-yl]phenyl]methanesulfonamide?
The InChIKey is ORBFSUIBUFITAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-17(2)12-7-8-14-13(15-12)10-5-4-6-11(9-10)16-20(3,18)19/h4-9,16H,1-3H3.
What are the key properties of N-[3-[4-(dimethylamino)pyrimidin-2-yl]phenyl]methanesulfonamide?
N-[3-[4-(dimethylamino)pyrimidin-2-yl]phenyl]methanesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)pyrimidin-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 3233033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).