2-amino-N-methyl-N-(4-nitrophenyl)pyrimidine-5-sulfonamide

C11H11N5O4S — CID 62142843

IUPAC2-amino-N-methyl-N-(4-nitrophenyl)pyrimidine-5-sulfonamide
SMILESCN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C11H11N5O4S/c1-15(8-2-4-9(5-3-8)16(17)18)21(19,20)10-6-13-11(12)14-7-10/h2-7H,1H3,(H2,12,13,14)
InChIKeyIWTODGHIMWHJPP-UHFFFAOYSA-N
MW309.31 g/mol
LogP0.79
Rot. Bonds4

About 2-amino-N-methyl-N-(4-nitrophenyl)pyrimidine-5-sulfonamide

2-amino-N-methyl-N-(4-nitrophenyl)pyrimidine-5-sulfonamide (PubChem CID 62142843) has the molecular formula C11H11N5O4S and a molecular weight of 309.31 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(4-nitrophenyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(4-nitrophenyl)pyrimidine-5-sulfonamide
PubChem CID62142843
Molecular FormulaC11H11N5O4S
Molecular Weight309.31 g/mol
Exact Mass309.05
IUPAC Name2-amino-N-methyl-N-(4-nitrophenyl)pyrimidine-5-sulfonamide
SMILESCN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cnc(N)nc1
InChIInChI=1S/C11H11N5O4S/c1-15(8-2-4-9(5-3-8)16(17)18)21(19,20)10-6-13-11(12)14-7-10/h2-7H,1H3,(H2,12,13,14)
InChIKeyIWTODGHIMWHJPP-UHFFFAOYSA-N
XLogP0.79
TPSA132.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-N-methyl-N-(4-nitrophenyl)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

2-amino-N-(4-methoxyphenyl)-N-methylpyrimidine-5-sulfonamide
CID 62157891
N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 99705183
N-(4-acetylphenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 11537316
2-amino-N,4-dimethyl-N-(4-nitrophenyl)-1,3-thiazole-5-sulfonamide
CID 63945983
4-fluoro-N-methyl-N-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide
CID 31244284
N,3,5-trimethyl-N-(4-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 43348964
N-(3-fluorophenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 99695445
N-(4-bromophenyl)-N-methyl-3-nitrobenzenesulfonamide
CID 100520963
N-bromo-N-methyl-4-nitrobenzenesulfonamide
CID 134996291
N-(3,4-dichlorophenyl)-N-methyl-3-nitrobenzenesulfonamide
CID 100523584
N-(4-aminophenyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 43344069
[4-[methyl(phenyl)sulfamoyl]phenyl] 4-nitrobenzoate
CID 139645113

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(4-nitrophenyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-amino-N-methyl-N-(4-nitrophenyl)pyrimidine-5-sulfonamide (CID 62142843) is 2-amino-N-methyl-N-(4-nitrophenyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-amino-N-methyl-N-(4-nitrophenyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-amino-N-methyl-N-(4-nitrophenyl)pyrimidine-5-sulfonamide is CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cnc(N)nc1.
What is the InChIKey of 2-amino-N-methyl-N-(4-nitrophenyl)pyrimidine-5-sulfonamide?
The InChIKey is IWTODGHIMWHJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O4S/c1-15(8-2-4-9(5-3-8)16(17)18)21(19,20)10-6-13-11(12)14-7-10/h2-7H,1H3,(H2,12,13,14).
What are the key properties of 2-amino-N-methyl-N-(4-nitrophenyl)pyrimidine-5-sulfonamide?
2-amino-N-methyl-N-(4-nitrophenyl)pyrimidine-5-sulfonamide has a molecular weight of 309.31 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(4-nitrophenyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62142843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).