calcium;hydride;propyl N-benzoylsulfamate

C10H15CaNO4S — CID 174416476

IUPACcalcium;hydride;propyl N-benzoylsulfamate
SMILESCCCOS(=O)(=O)NC(=O)c1ccccc1.[Ca+2].[H-].[H-]
InChIInChI=1S/C10H13NO4S.Ca.2H/c1-2-8-15-16(13,14)11-10(12)9-6-4-3-5-7-9;;;/h3-7H,2,8H2,1H3,(H,11,12);;;/q;+2;2*-1
InChIKeyCJOGUISIGQHHMG-UHFFFAOYSA-N
MW285.38 g/mol
LogP0.93
Rot. Bonds5

About calcium;hydride;propyl N-benzoylsulfamate

calcium;hydride;propyl N-benzoylsulfamate (PubChem CID 174416476) has the molecular formula C10H15CaNO4S and a molecular weight of 285.38 g/mol. Its IUPAC name is calcium;hydride;propyl N-benzoylsulfamate.

Molecular Properties

Compound Namecalcium;hydride;propyl N-benzoylsulfamate
PubChem CID174416476
Molecular FormulaC10H15CaNO4S
Molecular Weight285.38 g/mol
Exact Mass285.03
IUPAC Namecalcium;hydride;propyl N-benzoylsulfamate
SMILESCCCOS(=O)(=O)NC(=O)c1ccccc1.[Ca+2].[H-].[H-]
InChIInChI=1S/C10H13NO4S.Ca.2H/c1-2-8-15-16(13,14)11-10(12)9-6-4-3-5-7-9;;;/h3-7H,2,8H2,1H3,(H,11,12);;;/q;+2;2*-1
InChIKeyCJOGUISIGQHHMG-UHFFFAOYSA-N
XLogP0.93
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl oxo(phenyl)methanesulfonate
CID 90936992
phenyl N-benzoylsulfamate
CID 165129244
N-(ethylsulfamoyl)benzamide
CID 154250118
benzoylsulfamoyl benzoate
CID 57250029
calcium;hydride;N-hydroxybenzamide
CID 175061214
benzamido ethanesulfonate
CID 134265286
benzamido propane-1-sulfonate
CID 141165676
N-(methylsulfonylmethyl)benzamide
CID 66878080
propyl N-(2-methylpropanoyl)sulfamate
CID 174385988
N-ethylsulfonyl-4-phenylbenzamide
CID 140633529
propyl 2-benzamidopropanoate
CID 71628004
lithium;hydride;N-methylbenzamide
CID 173287348

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;propyl N-benzoylsulfamate?
The IUPAC name of calcium;hydride;propyl N-benzoylsulfamate (CID 174416476) is calcium;hydride;propyl N-benzoylsulfamate.
What is the SMILES notation for calcium;hydride;propyl N-benzoylsulfamate?
The canonical SMILES for calcium;hydride;propyl N-benzoylsulfamate is CCCOS(=O)(=O)NC(=O)c1ccccc1.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;propyl N-benzoylsulfamate?
The InChIKey is CJOGUISIGQHHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S.Ca.2H/c1-2-8-15-16(13,14)11-10(12)9-6-4-3-5-7-9;;;/h3-7H,2,8H2,1H3,(H,11,12);;;/q;+2;2*-1.
What are the key properties of calcium;hydride;propyl N-benzoylsulfamate?
calcium;hydride;propyl N-benzoylsulfamate has a molecular weight of 285.38 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;propyl N-benzoylsulfamate is sourced from PubChem (CID 174416476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).