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

C12H13ClN4O2S — CID 62142847

IUPACN-(2-chloro-4-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2ccc(C)cc2Cl)cn1
InChIInChI=1S/C12H13ClN4O2S/c1-8-3-4-11(10(13)5-8)17-20(18,19)9-6-15-12(14-2)16-7-9/h3-7,17H,1-2H3,(H,14,15,16)
InChIKeyRZSXTVVWEFMFRB-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.28
Rot. Bonds4

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

N-(2-chloro-4-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide (PubChem CID 62142847) has the molecular formula C12H13ClN4O2S and a molecular weight of 312.78 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide
PubChem CID62142847
Molecular FormulaC12H13ClN4O2S
Molecular Weight312.78 g/mol
Exact Mass312.04
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2ccc(C)cc2Cl)cn1
InChIInChI=1S/C12H13ClN4O2S/c1-8-3-4-11(10(13)5-8)17-20(18,19)9-6-15-12(14-2)16-7-9/h3-7,17H,1-2H3,(H,14,15,16)
InChIKeyRZSXTVVWEFMFRB-UHFFFAOYSA-N
XLogP2.28
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-chloro-4-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide 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

N-(2-chloro-4-cyanophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107810157
N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107630680
5-chloro-N-(2-chloro-4-methylphenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 64608552
N-(2-chloro-5-methylphenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 107626553
N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107793260
N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62144203
2-(methylamino)-N-(5-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 62150825
N-(2,4-dichlorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61329685
N-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62143840
N-(2-chloro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304236
N-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107630560
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide (CID 62142847) is N-(2-chloro-4-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)Nc2ccc(C)cc2Cl)cn1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide?
The InChIKey is RZSXTVVWEFMFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2S/c1-8-3-4-11(10(13)5-8)17-20(18,19)9-6-15-12(14-2)16-7-9/h3-7,17H,1-2H3,(H,14,15,16).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide?
N-(2-chloro-4-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62142847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).