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

C12H10ClN5O2S — CID 107810157

IUPACN-(2-chloro-4-cyanophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2ccc(C#N)cc2Cl)cn1
InChIInChI=1S/C12H10ClN5O2S/c1-15-12-16-6-9(7-17-12)21(19,20)18-11-3-2-8(5-14)4-10(11)13/h2-4,6-7,18H,1H3,(H,15,16,17)
InChIKeyFDOOWMUMTIWMOG-UHFFFAOYSA-N
MW323.77 g/mol
LogP1.84
Rot. Bonds4

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

N-(2-chloro-4-cyanophenyl)-2-(methylamino)pyrimidine-5-sulfonamide (PubChem CID 107810157) has the molecular formula C12H10ClN5O2S and a molecular weight of 323.77 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-2-(methylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
PubChem CID107810157
Molecular FormulaC12H10ClN5O2S
Molecular Weight323.77 g/mol
Exact Mass323.02
IUPAC NameN-(2-chloro-4-cyanophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2ccc(C#N)cc2Cl)cn1
InChIInChI=1S/C12H10ClN5O2S/c1-15-12-16-6-9(7-17-12)21(19,20)18-11-3-2-8(5-14)4-10(11)13/h2-4,6-7,18H,1H3,(H,15,16,17)
InChIKeyFDOOWMUMTIWMOG-UHFFFAOYSA-N
XLogP1.84
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.77
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide
CID 107810158
N-(2-chloro-4-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62142847
N-(2-chloro-4-cyanophenyl)-4-(methylamino)pyridine-3-sulfonamide
CID 107810161
N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 103791853
N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107630680
2-chloro-N-(2-chloro-4-cyanophenyl)-1,3-thiazole-5-sulfonamide
CID 107807707
4-amino-N-(2-chloro-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107806926
N-(2,4-dichlorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61329685
N-(2-chloro-4-cyanophenyl)-3-hydroxybenzenesulfonamide
CID 107809240
N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107793260
4-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-3-chlorobenzonitrile
CID 107810649
N-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62143840

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-2-(methylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-2-(methylamino)pyrimidine-5-sulfonamide (CID 107810157) is N-(2-chloro-4-cyanophenyl)-2-(methylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-2-(methylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-2-(methylamino)pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)Nc2ccc(C#N)cc2Cl)cn1.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-2-(methylamino)pyrimidine-5-sulfonamide?
The InChIKey is FDOOWMUMTIWMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O2S/c1-15-12-16-6-9(7-17-12)21(19,20)18-11-3-2-8(5-14)4-10(11)13/h2-4,6-7,18H,1H3,(H,15,16,17).
What are the key properties of N-(2-chloro-4-cyanophenyl)-2-(methylamino)pyrimidine-5-sulfonamide?
N-(2-chloro-4-cyanophenyl)-2-(methylamino)pyrimidine-5-sulfonamide has a molecular weight of 323.77 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-2-(methylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 107810157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).