2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide

C11H8ClN5O2S — CID 107810158

IUPAC2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cnc(N)nc2)c(Cl)c1
InChIInChI=1S/C11H8ClN5O2S/c12-9-3-7(4-13)1-2-10(9)17-20(18,19)8-5-15-11(14)16-6-8/h1-3,5-6,17H,(H2,14,15,16)
InChIKeyFPCPFPDTUZGWFG-UHFFFAOYSA-N
MW309.74 g/mol
LogP1.38
Rot. Bonds3

About 2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide

2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide (PubChem CID 107810158) has the molecular formula C11H8ClN5O2S and a molecular weight of 309.74 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide
PubChem CID107810158
Molecular FormulaC11H8ClN5O2S
Molecular Weight309.74 g/mol
Exact Mass309.01
IUPAC Name2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cnc(N)nc2)c(Cl)c1
InChIInChI=1S/C11H8ClN5O2S/c12-9-3-7(4-13)1-2-10(9)17-20(18,19)8-5-15-11(14)16-6-8/h1-3,5-6,17H,(H2,14,15,16)
InChIKeyFPCPFPDTUZGWFG-UHFFFAOYSA-N
XLogP1.38
TPSA121.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.74
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-4-cyanophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107810157
4-amino-N-(2-chloro-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107806926
2-chloro-N-(2-chloro-4-cyanophenyl)-1,3-thiazole-5-sulfonamide
CID 107807707
N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide
CID 78965173
N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 103791853
N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide
CID 107809240
5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide
CID 107806943
4-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806959
2-amino-N-(2-chloro-4-cyanophenyl)-5-fluorobenzenesulfonamide
CID 107806945
N-(2,4-dichlorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61329685
N-(2-chloro-4-cyanophenyl)-3-fluoropyridine-2-sulfonamide
CID 107807709
3-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806930

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide (CID 107810158) is 2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide is N#Cc1ccc(NS(=O)(=O)c2cnc(N)nc2)c(Cl)c1.
What is the InChIKey of 2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide?
The InChIKey is FPCPFPDTUZGWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5O2S/c12-9-3-7(4-13)1-2-10(9)17-20(18,19)8-5-15-11(14)16-6-8/h1-3,5-6,17H,(H2,14,15,16).
What are the key properties of 2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide?
2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide has a molecular weight of 309.74 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 107810158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).