N-(2-chloropyrimidin-4-yl)-1-(3-cyanophenyl)methanesulfonamide

C12H9ClN4O2S — CID 116798729

IUPACN-(2-chloropyrimidin-4-yl)-1-(3-cyanophenyl)methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)Nc2ccnc(Cl)n2)c1
InChIInChI=1S/C12H9ClN4O2S/c13-12-15-5-4-11(16-12)17-20(18,19)8-10-3-1-2-9(6-10)7-14/h1-6H,8H2,(H,15,16,17)
InChIKeyADUYVXCKIVAKSH-UHFFFAOYSA-N
MW308.75 g/mol
LogP1.94
Rot. Bonds4

About N-(2-chloropyrimidin-4-yl)-1-(3-cyanophenyl)methanesulfonamide

N-(2-chloropyrimidin-4-yl)-1-(3-cyanophenyl)methanesulfonamide (PubChem CID 116798729) has the molecular formula C12H9ClN4O2S and a molecular weight of 308.75 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-1-(3-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-1-(3-cyanophenyl)methanesulfonamide
PubChem CID116798729
Molecular FormulaC12H9ClN4O2S
Molecular Weight308.75 g/mol
Exact Mass308.01
IUPAC NameN-(2-chloropyrimidin-4-yl)-1-(3-cyanophenyl)methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)Nc2ccnc(Cl)n2)c1
InChIInChI=1S/C12H9ClN4O2S/c13-12-15-5-4-11(16-12)17-20(18,19)8-10-3-1-2-9(6-10)7-14/h1-6H,8H2,(H,15,16,17)
InChIKeyADUYVXCKIVAKSH-UHFFFAOYSA-N
XLogP1.94
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2-pyridinyl)-1-(3-cyanophenyl)methanesulfonamide
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N-(2-chloropyrimidin-4-yl)-1-(4-fluorophenyl)methanesulfonamide
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(3-cyanophenyl)methanesulfonohydrazide
CID 43476897
1-(3-cyanophenyl)-N-(1H-1,2,4-triazol-5-yl)methanesulfonamide
CID 55151849
1-(3-cyanophenyl)-N-(2-methylprop-2-enyl)methanesulfonamide
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1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide
CID 83029588
1-(3-cyanophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)methanesulfonamide
CID 104620961
N-(2-chloropyrimidin-4-yl)butane-1-sulfonamide
CID 116798844
1-(3-cyanophenyl)-N-[3-(diethylamino)propyl]methanesulfonamide
CID 78863466
N-(4-amino-3-methylphenyl)-1-(3-cyanophenyl)methanesulfonamide
CID 43604837
3-chloro-4-[(2-chloropyrimidin-4-yl)amino]benzonitrile
CID 107809620
1-(3-cyanophenyl)-N-(3-prop-2-enoxyphenyl)methanesulfonamide
CID 84598578

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-1-(3-cyanophenyl)methanesulfonamide?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-1-(3-cyanophenyl)methanesulfonamide (CID 116798729) is N-(2-chloropyrimidin-4-yl)-1-(3-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-1-(3-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-1-(3-cyanophenyl)methanesulfonamide is N#Cc1cccc(CS(=O)(=O)Nc2ccnc(Cl)n2)c1.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-1-(3-cyanophenyl)methanesulfonamide?
The InChIKey is ADUYVXCKIVAKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O2S/c13-12-15-5-4-11(16-12)17-20(18,19)8-10-3-1-2-9(6-10)7-14/h1-6H,8H2,(H,15,16,17).
What are the key properties of N-(2-chloropyrimidin-4-yl)-1-(3-cyanophenyl)methanesulfonamide?
N-(2-chloropyrimidin-4-yl)-1-(3-cyanophenyl)methanesulfonamide has a molecular weight of 308.75 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-1-(3-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 116798729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).