CID 57350054

C10H11N3NaO3S — CID 57350054

IUPAC—
SMILESCc1cc(NS(=O)(=O)c2ccc(N)cc2)no1.[Na]
InChIInChI=1S/C10H11N3O3S.Na/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9;/h2-6H,11H2,1H3,(H,12,13);
InChIKeyCFNQJJGJKVHAME-UHFFFAOYSA-N
MW276.27 g/mol
LogP0.99
Rot. Bonds3

About CID 57350054

CID 57350054 (PubChem CID 57350054) has the molecular formula C10H11N3NaO3S and a molecular weight of 276.27 g/mol.

Molecular Properties

Compound NameCID 57350054
PubChem CID57350054
Molecular FormulaC10H11N3NaO3S
Molecular Weight276.27 g/mol
Exact Mass276.04
IUPAC Name—
SMILESCc1cc(NS(=O)(=O)c2ccc(N)cc2)no1.[Na]
InChIInChI=1S/C10H11N3O3S.Na/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9;/h2-6H,11H2,1H3,(H,12,13);
InChIKeyCFNQJJGJKVHAME-UHFFFAOYSA-N
XLogP0.99
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 50.99
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-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
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3-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 14150694
4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 162345507
4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2446459
N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]methylamino]benzenesulfonamide
CID 149149977
4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 62148521
4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
CID 24847784
4-amino-N-(5-formyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 102025730
4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 22411411
[1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-1-oxopropan-2-yl] 4-aminobenzoate
CID 25036468
4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 562945
4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 60822085

Frequently Asked Questions

What is the IUPAC name of CID 57350054?
The IUPAC name of CID 57350054 (CID 57350054) is not available.
What is the SMILES notation for CID 57350054?
The canonical SMILES for CID 57350054 is Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1.[Na].
What is the InChIKey of CID 57350054?
The InChIKey is CFNQJJGJKVHAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S.Na/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9;/h2-6H,11H2,1H3,(H,12,13);.
What are the key properties of CID 57350054?
CID 57350054 has a molecular weight of 276.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57350054 is sourced from PubChem (CID 57350054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).