(3-chlorophenyl) sulfamate

C6H6ClNO3S — CID 19108716

IUPAC(3-chlorophenyl) sulfamate
SMILESNS(=O)(=O)Oc1cccc(Cl)c1
InChIInChI=1S/C6H6ClNO3S/c7-5-2-1-3-6(4-5)11-12(8,9)10/h1-4H,(H2,8,9,10)
InChIKeyTZQWRNGURLWASA-UHFFFAOYSA-N
MW207.64 g/mol
LogP0.92
Rot. Bonds2

About (3-chlorophenyl) sulfamate

(3-chlorophenyl) sulfamate (PubChem CID 19108716) has the molecular formula C6H6ClNO3S and a molecular weight of 207.64 g/mol. Its IUPAC name is (3-chlorophenyl) sulfamate.

Molecular Properties

Compound Name(3-chlorophenyl) sulfamate
PubChem CID19108716
Molecular FormulaC6H6ClNO3S
Molecular Weight207.64 g/mol
Exact Mass206.98
IUPAC Name(3-chlorophenyl) sulfamate
SMILESNS(=O)(=O)Oc1cccc(Cl)c1
InChIInChI=1S/C6H6ClNO3S/c7-5-2-1-3-6(4-5)11-12(8,9)10/h1-4H,(H2,8,9,10)
InChIKeyTZQWRNGURLWASA-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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Related Compounds

3-Chlorophenol
CID 7933
Phenylsulfamate
CID 11030308
4-Chlorophenyl Sulfamate
CID 10104483
Sulfamic acid 2,4,6-trichloro-phenyl ester
CID 10923837
O-(3,5-Dichlorophenyl)hydroxylamine
CID 11736040
4-Chlorophenyl chloranesulfonate
CID 12741185
O-(2-Chlorophenyl)hydroxylamine
CID 13574894
3-Chlorophenyl trifluoromethanesulfonate
CID 13155249
3-Chlorophenyl fluoranesulfonate
CID 119097678
4-Chlorophenyl sulfofluoridate
CID 119098789
4-Chlorophenyl methanesulfonate
CID 237182
O-(3-chlorophenyl)hydroxylamine
CID 9898857

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl) sulfamate?
The IUPAC name of (3-chlorophenyl) sulfamate (CID 19108716) is (3-chlorophenyl) sulfamate.
What is the SMILES notation for (3-chlorophenyl) sulfamate?
The canonical SMILES for (3-chlorophenyl) sulfamate is NS(=O)(=O)Oc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl) sulfamate?
The InChIKey is TZQWRNGURLWASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO3S/c7-5-2-1-3-6(4-5)11-12(8,9)10/h1-4H,(H2,8,9,10).
What are the key properties of (3-chlorophenyl) sulfamate?
(3-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 (3-chlorophenyl) sulfamate is sourced from PubChem (CID 19108716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).