2-chloro-N-(4-methyl-3-nitrophenyl)pyrimidine-5-sulfonamide

C11H9ClN4O4S — CID 43456451

IUPAC2-chloro-N-(4-methyl-3-nitrophenyl)pyrimidine-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnc(Cl)nc2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H9ClN4O4S/c1-7-2-3-8(4-10(7)16(17)18)15-21(19,20)9-5-13-11(12)14-6-9/h2-6,15H,1H3
InChIKeyJSECYOXWEJGZGG-UHFFFAOYSA-N
MW328.74 g/mol
LogP2.15
Rot. Bonds4

About 2-chloro-N-(4-methyl-3-nitrophenyl)pyrimidine-5-sulfonamide

2-chloro-N-(4-methyl-3-nitrophenyl)pyrimidine-5-sulfonamide (PubChem CID 43456451) has the molecular formula C11H9ClN4O4S and a molecular weight of 328.74 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-3-nitrophenyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-methyl-3-nitrophenyl)pyrimidine-5-sulfonamide
PubChem CID43456451
Molecular FormulaC11H9ClN4O4S
Molecular Weight328.74 g/mol
Exact Mass328.00
IUPAC Name2-chloro-N-(4-methyl-3-nitrophenyl)pyrimidine-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnc(Cl)nc2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H9ClN4O4S/c1-7-2-3-8(4-10(7)16(17)18)15-21(19,20)9-5-13-11(12)14-6-9/h2-6,15H,1H3
InChIKeyJSECYOXWEJGZGG-UHFFFAOYSA-N
XLogP2.15
TPSA115.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.74
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-N-(4-methyl-3-nitrophenyl)benzenesulfonamide
CID 22775051
N-(4-methyl-3-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 54937260
N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 7939121
N-(3,4-difluorophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 4876032
N-(4-methyl-3-nitrophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22775049
2-methyl-N-(4-methyl-3-nitrophenyl)-5-nitrobenzenesulfonamide
CID 2796554
2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide
CID 43456340
6-chloro-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
CID 4729839
2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide
CID 61053137
5-chloro-N-(3,4-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 7574218
N-[4-[(4-methyl-3-nitrophenyl)sulfonylamino]phenyl]pyridine-2-carboxamide
CID 4838891
N-(4-methyl-3-nitrophenyl)propane-1-sulfonamide
CID 60640313

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methyl-3-nitrophenyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(4-methyl-3-nitrophenyl)pyrimidine-5-sulfonamide (CID 43456451) is 2-chloro-N-(4-methyl-3-nitrophenyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4-methyl-3-nitrophenyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(4-methyl-3-nitrophenyl)pyrimidine-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2cnc(Cl)nc2)cc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-(4-methyl-3-nitrophenyl)pyrimidine-5-sulfonamide?
The InChIKey is JSECYOXWEJGZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O4S/c1-7-2-3-8(4-10(7)16(17)18)15-21(19,20)9-5-13-11(12)14-6-9/h2-6,15H,1H3.
What are the key properties of 2-chloro-N-(4-methyl-3-nitrophenyl)pyrimidine-5-sulfonamide?
2-chloro-N-(4-methyl-3-nitrophenyl)pyrimidine-5-sulfonamide has a molecular weight of 328.74 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methyl-3-nitrophenyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 43456451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).