sodium N-(2-morpholin-4-ylphenyl)sulfamate

C10H13N2NaO4S — CID 174221479

IUPACsodium N-(2-morpholin-4-ylphenyl)sulfamate
SMILESO=S(=O)([O-])Nc1ccccc1N1CCOCC1.[Na+]
InChIInChI=1S/C10H14N2O4S.Na/c13-17(14,15)11-9-3-1-2-4-10(9)12-5-7-16-8-6-12;/h1-4,11H,5-8H2,(H,13,14,15);/q;+1/p-1
InChIKeyTUOGNCGVCDJTDU-UHFFFAOYSA-M
MW280.28 g/mol
LogP-2.60
Rot. Bonds3

About sodium N-(2-morpholin-4-ylphenyl)sulfamate

sodium N-(2-morpholin-4-ylphenyl)sulfamate (PubChem CID 174221479) has the molecular formula C10H13N2NaO4S and a molecular weight of 280.28 g/mol. Its IUPAC name is sodium N-(2-morpholin-4-ylphenyl)sulfamate.

Molecular Properties

Compound Namesodium N-(2-morpholin-4-ylphenyl)sulfamate
PubChem CID174221479
Molecular FormulaC10H13N2NaO4S
Molecular Weight280.28 g/mol
Exact Mass280.05
IUPAC Namesodium N-(2-morpholin-4-ylphenyl)sulfamate
SMILESO=S(=O)([O-])Nc1ccccc1N1CCOCC1.[Na+]
InChIInChI=1S/C10H14N2O4S.Na/c13-17(14,15)11-9-3-1-2-4-10(9)12-5-7-16-8-6-12;/h1-4,11H,5-8H2,(H,13,14,15);/q;+1/p-1
InChIKeyTUOGNCGVCDJTDU-UHFFFAOYSA-M
XLogP-2.60
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-2.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-[2-(sulfamoylamino)phenyl]morpholine
CID 112573552
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2444334
3,5-difluoro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
CID 17442409
N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 4794707
3,4-dimethyl-5-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
CID 4806596
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 1120987
N-cyclohexyl-2-morpholin-4-ylaniline
CID 43717230
4-(cyclopropylsulfamoyl)-N-(2-morpholin-4-ylphenyl)benzamide
CID 55377324

Frequently Asked Questions

What is the IUPAC name of sodium N-(2-morpholin-4-ylphenyl)sulfamate?
The IUPAC name of sodium N-(2-morpholin-4-ylphenyl)sulfamate (CID 174221479) is sodium N-(2-morpholin-4-ylphenyl)sulfamate.
What is the SMILES notation for sodium N-(2-morpholin-4-ylphenyl)sulfamate?
The canonical SMILES for sodium N-(2-morpholin-4-ylphenyl)sulfamate is O=S(=O)([O-])Nc1ccccc1N1CCOCC1.[Na+].
What is the InChIKey of sodium N-(2-morpholin-4-ylphenyl)sulfamate?
The InChIKey is TUOGNCGVCDJTDU-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14N2O4S.Na/c13-17(14,15)11-9-3-1-2-4-10(9)12-5-7-16-8-6-12;/h1-4,11H,5-8H2,(H,13,14,15);/q;+1/p-1.
What are the key properties of sodium N-(2-morpholin-4-ylphenyl)sulfamate?
sodium N-(2-morpholin-4-ylphenyl)sulfamate has a molecular weight of 280.28 g/mol, XLogP of -2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(2-morpholin-4-ylphenyl)sulfamate is sourced from PubChem (CID 174221479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).