5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

C12H13ClN4O2S — CID 29301609

IUPAC5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2cc(N)ccc2Cl)n1
InChIInChI=1S/C12H13ClN4O2S/c1-7-5-8(2)16-12(15-7)17-20(18,19)11-6-9(14)3-4-10(11)13/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKeyMKVVJEUZUCRECC-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.13
Rot. Bonds3

About 5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 29301609) has the molecular formula C12H13ClN4O2S and a molecular weight of 312.78 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
PubChem CID29301609
Molecular FormulaC12H13ClN4O2S
Molecular Weight312.78 g/mol
Exact Mass312.04
IUPAC Name5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2cc(N)ccc2Cl)n1
InChIInChI=1S/C12H13ClN4O2S/c1-7-5-8(2)16-12(15-7)17-20(18,19)11-6-9(14)3-4-10(11)13/h3-6H,14H2,1-2H3,(H,15,16,17)
InChIKeyMKVVJEUZUCRECC-UHFFFAOYSA-N
XLogP2.13
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-5-fluorobenzenesulfonamide
CID 86790541
5-amino-N-(4,6-dimethylpyrimidin-2-yl)-2-ethylbenzenesulfonamide
CID 43256532
5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61463931
5-amino-2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61471894
5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898902
5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617147
5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 29276222
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid
CID 21393658
5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 28528922
5-amino-2-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 3521355
5-amino-2-chloro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667966
5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587461

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (CID 29301609) is 5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2cc(N)ccc2Cl)n1.
What is the InChIKey of 5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is MKVVJEUZUCRECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2S/c1-7-5-8(2)16-12(15-7)17-20(18,19)11-6-9(14)3-4-10(11)13/h3-6H,14H2,1-2H3,(H,15,16,17).
What are the key properties of 5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide?
5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 29301609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).