Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-, sodium salt (1:1)

C12H14N4NaO2S — CID 66643389

IUPAC—
SMILESCc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1.[Na]
InChIInChI=1S/C12H14N4O2S.Na/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11;/h3-7H,13H2,1-2H3,(H,14,15,16);
InChIKeyYWXFNHRLIKUAIF-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.10
Rot. Bonds3

About Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-, sodium salt (1:1)

Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-, sodium salt (1:1) (PubChem CID 66643389) has the molecular formula C12H14N4NaO2S and a molecular weight of 301.33 g/mol.

Molecular Properties

Compound NameBenzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-, sodium salt (1:1)
PubChem CID66643389
Molecular FormulaC12H14N4NaO2S
Molecular Weight301.33 g/mol
Exact Mass301.07
IUPAC Name—
SMILESCc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1.[Na]
InChIInChI=1S/C12H14N4O2S.Na/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11;/h3-7H,13H2,1-2H3,(H,14,15,16);
InChIKeyYWXFNHRLIKUAIF-UHFFFAOYSA-N
XLogP1.10
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.10
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

4-amino-N-(2-cyclopropyl-6-methylpyrimidin-4-yl)benzenesulfonamide
CID 154205604
methyl N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]carbamate
CID 4586210
1-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-3-phenylurea
CID 4563892
2-chloro-N'-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]ethanimidamide
CID 169368096
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;sulfuric acid
CID 21393658
CID 57350054
CID 57350054
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
CID 1010612
4-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 19683795
5-chloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 19683779
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-4-carboxamide
CID 2059815
3,5-dichloro-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-hydroxybenzenesulfonamide
CID 74228383
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]pyridine-2-carboxamide
CID 19224265

Frequently Asked Questions

What is the IUPAC name of Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-, sodium salt (1:1)?
The IUPAC name of Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-, sodium salt (1:1) (CID 66643389) is not available.
What is the SMILES notation for Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-, sodium salt (1:1)?
The canonical SMILES for Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-, sodium salt (1:1) is Cc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(C)n1.[Na].
What is the InChIKey of Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-, sodium salt (1:1)?
The InChIKey is YWXFNHRLIKUAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S.Na/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11;/h3-7H,13H2,1-2H3,(H,14,15,16);.
What are the key properties of Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-, sodium salt (1:1)?
Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-, sodium salt (1:1) has a molecular weight of 301.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Benzenesulfonamide, 4-amino-N-(2,6-dimethyl-4-pyrimidinyl)-, sodium salt (1:1) is sourced from PubChem (CID 66643389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).