chlorosulfonyl N-phenylcarbamate

C7H6ClNO4S — CID 174941251

IUPACchlorosulfonyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OS(=O)(=O)Cl
InChIInChI=1S/C7H6ClNO4S/c8-14(11,12)13-7(10)9-6-4-2-1-3-5-6/h1-5H,(H,9,10)
InChIKeyDPMHBTJNLYNOQI-UHFFFAOYSA-N
MW235.65 g/mol
LogP1.72
Rot. Bonds2

About chlorosulfonyl N-phenylcarbamate

chlorosulfonyl N-phenylcarbamate (PubChem CID 174941251) has the molecular formula C7H6ClNO4S and a molecular weight of 235.65 g/mol. Its IUPAC name is chlorosulfonyl N-phenylcarbamate.

Molecular Properties

Compound Namechlorosulfonyl N-phenylcarbamate
PubChem CID174941251
Molecular FormulaC7H6ClNO4S
Molecular Weight235.65 g/mol
Exact Mass234.97
IUPAC Namechlorosulfonyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OS(=O)(=O)Cl
InChIInChI=1S/C7H6ClNO4S/c8-14(11,12)13-7(10)9-6-4-2-1-3-5-6/h1-5H,(H,9,10)
InChIKeyDPMHBTJNLYNOQI-UHFFFAOYSA-N
XLogP1.72
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.65
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

sodium anilino(oxo)methanesulfonate
CID 88638376
N-(phenylcarbamoyl)sulfamoyl chloride
CID 22179270
chlorosulfonyl benzoate;hydrochloride
CID 87590926
CID 68594224
CID 68594224
2-chloropropan-2-yl N-phenylcarbamate
CID 70225555
2-(benzenesulfonyl)ethyl N-phenylcarbamate
CID 14081594
2,3-bis(phenylcarbamoyloxy)butanedioic acid
CID 19011134
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
ethane;N-phenylcarbamoyl chloride
CID 91362970
butane;phenylcarbamoyloxymethyl N-phenylcarbamate
CID 20571621
[[4-(phenylcarbamoyloxycarbamoyl)benzoyl]amino] N-phenylcarbamate
CID 576626
1,1,3,3,3-pentafluoro-2-(phenylcarbamoyloxy)propane-1-sulfonic acid
CID 129070483

Frequently Asked Questions

What is the IUPAC name of chlorosulfonyl N-phenylcarbamate?
The IUPAC name of chlorosulfonyl N-phenylcarbamate (CID 174941251) is chlorosulfonyl N-phenylcarbamate.
What is the SMILES notation for chlorosulfonyl N-phenylcarbamate?
The canonical SMILES for chlorosulfonyl N-phenylcarbamate is O=C(Nc1ccccc1)OS(=O)(=O)Cl.
What is the InChIKey of chlorosulfonyl N-phenylcarbamate?
The InChIKey is DPMHBTJNLYNOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO4S/c8-14(11,12)13-7(10)9-6-4-2-1-3-5-6/h1-5H,(H,9,10).
What are the key properties of chlorosulfonyl N-phenylcarbamate?
chlorosulfonyl N-phenylcarbamate has a molecular weight of 235.65 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosulfonyl N-phenylcarbamate is sourced from PubChem (CID 174941251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).