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

C12H14N4O2S — CID 3234614

IUPACN-[3-[4-(methylamino)pyrimidin-2-yl]phenyl]methanesulfonamide
SMILESCNc1ccnc(-c2cccc(NS(C)(=O)=O)c2)n1
InChIInChI=1S/C12H14N4O2S/c1-13-11-6-7-14-12(15-11)9-4-3-5-10(8-9)16-19(2,17)18/h3-8,16H,1-2H3,(H,13,14,15)
InChIKeyGTUGHYFBXZAALS-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.56
Rot. Bonds4

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

N-[3-[4-(methylamino)pyrimidin-2-yl]phenyl]methanesulfonamide (PubChem CID 3234614) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[3-[4-(methylamino)pyrimidin-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(methylamino)pyrimidin-2-yl]phenyl]methanesulfonamide
PubChem CID3234614
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-[3-[4-(methylamino)pyrimidin-2-yl]phenyl]methanesulfonamide
SMILESCNc1ccnc(-c2cccc(NS(C)(=O)=O)c2)n1
InChIInChI=1S/C12H14N4O2S/c1-13-11-6-7-14-12(15-11)9-4-3-5-10(8-9)16-19(2,17)18/h3-8,16H,1-2H3,(H,13,14,15)
InChIKeyGTUGHYFBXZAALS-UHFFFAOYSA-N
XLogP1.56
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Sulfaperin
CID 68933
Urea isostere 1
CID 5329816
US10450297, Example 50
CID 57584772
Urea deriv. 30
CID 5329836
4-({4-[(2-Fluoro-5-methylphenyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 6539017
4-((2-Amino-4-pyrimidinyl)amino)benzenesulfonamide
CID 31036
5-fluoro-N,N'-bis(3-methylphenyl)pyrimidine-2,4-diamine
CID 802952
2-(3-(Trifluoromethyl)anilino)pyridine-3-Sulfonamide
CID 902072
Urea isostere 13
CID 5329819
Urea isostere 14
CID 5329820
Urea isostere 15
CID 5329821
Urea deriv. 27
CID 5329833

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(methylamino)pyrimidin-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[4-(methylamino)pyrimidin-2-yl]phenyl]methanesulfonamide (CID 3234614) is N-[3-[4-(methylamino)pyrimidin-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[4-(methylamino)pyrimidin-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[4-(methylamino)pyrimidin-2-yl]phenyl]methanesulfonamide is CNc1ccnc(-c2cccc(NS(C)(=O)=O)c2)n1.
What is the InChIKey of N-[3-[4-(methylamino)pyrimidin-2-yl]phenyl]methanesulfonamide?
The InChIKey is GTUGHYFBXZAALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-13-11-6-7-14-12(15-11)9-4-3-5-10(8-9)16-19(2,17)18/h3-8,16H,1-2H3,(H,13,14,15).
What are the key properties of N-[3-[4-(methylamino)pyrimidin-2-yl]phenyl]methanesulfonamide?
N-[3-[4-(methylamino)pyrimidin-2-yl]phenyl]methanesulfonamide has a molecular weight of 278.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(methylamino)pyrimidin-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 3234614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).