sodium methyl-[4-(methylsulfonylcarbamoyl)phenyl]azanide

C9H11N2NaO3S — CID 87763473

IUPACsodium methyl-[4-(methylsulfonylcarbamoyl)phenyl]azanide
SMILESC[N-]c1ccc(C(=O)NS(C)(=O)=O)cc1.[Na+]
InChIInChI=1S/C9H12N2O3S.Na/c1-10-8-5-3-7(4-6-8)9(12)11-15(2,13)14;/h3-6H,1-2H3,(H2,10,11,12);/q;+1/p-1
InChIKeyWPKCQOVLQHRBCV-UHFFFAOYSA-M
MW250.25 g/mol
LogP-1.99
Rot. Bonds3

About sodium methyl-[4-(methylsulfonylcarbamoyl)phenyl]azanide

sodium methyl-[4-(methylsulfonylcarbamoyl)phenyl]azanide (PubChem CID 87763473) has the molecular formula C9H11N2NaO3S and a molecular weight of 250.25 g/mol. Its IUPAC name is sodium methyl-[4-(methylsulfonylcarbamoyl)phenyl]azanide.

Molecular Properties

Compound Namesodium methyl-[4-(methylsulfonylcarbamoyl)phenyl]azanide
PubChem CID87763473
Molecular FormulaC9H11N2NaO3S
Molecular Weight250.25 g/mol
Exact Mass250.04
IUPAC Namesodium methyl-[4-(methylsulfonylcarbamoyl)phenyl]azanide
SMILESC[N-]c1ccc(C(=O)NS(C)(=O)=O)cc1.[Na+]
InChIInChI=1S/C9H12N2O3S.Na/c1-10-8-5-3-7(4-6-8)9(12)11-15(2,13)14;/h3-6H,1-2H3,(H2,10,11,12);/q;+1/p-1
InChIKeyWPKCQOVLQHRBCV-UHFFFAOYSA-M
XLogP-1.99
TPSA77.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-1.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-methylsulfonylbenzamide
CID 47232721
4-(4-methoxyphenoxy)-N-methylsulfonylbenzamide
CID 66767279
2-deuterio-5-methyl-N-methylsulfonylbenzamide
CID 134967847
3-methyl-N-methylsulfonylbenzamide
CID 18331681
N-methylsulfonylpyridazine-4-carboxamide
CID 130725112
4-(2-methoxyethylsulfonyl)-N-methylsulfonylbenzamide
CID 56800656
N-methylsulfonyl-3-(trifluoromethyl)benzamide
CID 47232687
3-bromo-4-methyl-N-methylsulfonylbenzamide
CID 123841069
3-bromo-N-methylsulfonylbenzamide
CID 47269279
3-hydroxy-4-iodo-N-methylsulfonylbenzamide
CID 148644592
3-amino-4-bromo-N-methylsulfonylbenzamide
CID 107813359
N-methylsulfonyl-4-naphthalen-2-yloxybenzamide
CID 66767288

Frequently Asked Questions

What is the IUPAC name of sodium methyl-[4-(methylsulfonylcarbamoyl)phenyl]azanide?
The IUPAC name of sodium methyl-[4-(methylsulfonylcarbamoyl)phenyl]azanide (CID 87763473) is sodium methyl-[4-(methylsulfonylcarbamoyl)phenyl]azanide.
What is the SMILES notation for sodium methyl-[4-(methylsulfonylcarbamoyl)phenyl]azanide?
The canonical SMILES for sodium methyl-[4-(methylsulfonylcarbamoyl)phenyl]azanide is C[N-]c1ccc(C(=O)NS(C)(=O)=O)cc1.[Na+].
What is the InChIKey of sodium methyl-[4-(methylsulfonylcarbamoyl)phenyl]azanide?
The InChIKey is WPKCQOVLQHRBCV-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12N2O3S.Na/c1-10-8-5-3-7(4-6-8)9(12)11-15(2,13)14;/h3-6H,1-2H3,(H2,10,11,12);/q;+1/p-1.
What are the key properties of sodium methyl-[4-(methylsulfonylcarbamoyl)phenyl]azanide?
sodium methyl-[4-(methylsulfonylcarbamoyl)phenyl]azanide has a molecular weight of 250.25 g/mol, XLogP of -1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium methyl-[4-(methylsulfonylcarbamoyl)phenyl]azanide is sourced from PubChem (CID 87763473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).