(4-chlorophenyl) sulfamate

C6H6ClNO3S — CID 10104483

IUPAC(4-chlorophenyl) sulfamate
SMILESNS(=O)(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C6H6ClNO3S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H,(H2,8,9,10)
InChIKeyCQGQVNKFCSRASR-UHFFFAOYSA-N
MW207.64 g/mol
LogP0.92
Rot. Bonds2

About (4-chlorophenyl) sulfamate

(4-chlorophenyl) sulfamate (PubChem CID 10104483) has the molecular formula C6H6ClNO3S and a molecular weight of 207.64 g/mol. Its IUPAC name is (4-chlorophenyl) sulfamate.

Molecular Properties

Compound Name(4-chlorophenyl) sulfamate
PubChem CID10104483
Molecular FormulaC6H6ClNO3S
Molecular Weight207.64 g/mol
Exact Mass206.98
IUPAC Name(4-chlorophenyl) sulfamate
SMILESNS(=O)(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C6H6ClNO3S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H,(H2,8,9,10)
InChIKeyCQGQVNKFCSRASR-UHFFFAOYSA-N
XLogP0.92
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.64
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) sulfamate?
The IUPAC name of (4-chlorophenyl) sulfamate (CID 10104483) is (4-chlorophenyl) sulfamate.
What is the SMILES notation for (4-chlorophenyl) sulfamate?
The canonical SMILES for (4-chlorophenyl) sulfamate is NS(=O)(=O)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) sulfamate?
The InChIKey is CQGQVNKFCSRASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO3S/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H,(H2,8,9,10).
What are the key properties of (4-chlorophenyl) sulfamate?
(4-chlorophenyl) sulfamate has a molecular weight of 207.64 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) sulfamate is sourced from PubChem (CID 10104483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).