chlorobenzene;sulfamic acid

C6H8ClNO3S — CID 70097834

IUPACchlorobenzene;sulfamic acid
SMILESClc1ccccc1.NS(=O)(=O)O
InChIInChI=1S/C6H5Cl.H3NO3S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H;(H3,1,2,3,4)
InChIKeyYYFFTLKFNBDYCM-UHFFFAOYSA-N
MW209.65 g/mol
LogP1.09
Rot. Bonds

About chlorobenzene;sulfamic acid

chlorobenzene;sulfamic acid (PubChem CID 70097834) has the molecular formula C6H8ClNO3S and a molecular weight of 209.65 g/mol. Its IUPAC name is chlorobenzene;sulfamic acid.

Molecular Properties

Compound Namechlorobenzene;sulfamic acid
PubChem CID70097834
Molecular FormulaC6H8ClNO3S
Molecular Weight209.65 g/mol
Exact Mass208.99
IUPAC Namechlorobenzene;sulfamic acid
SMILESClc1ccccc1.NS(=O)(=O)O
InChIInChI=1S/C6H5Cl.H3NO3S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H;(H3,1,2,3,4)
InChIKeyYYFFTLKFNBDYCM-UHFFFAOYSA-N
XLogP1.09
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.65
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 69403092
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CID 139244081
azane;chlorobenzene
CID 20560159
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CID 174535973
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CID 19857624
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CID 157270090

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;sulfamic acid?
The IUPAC name of chlorobenzene;sulfamic acid (CID 70097834) is chlorobenzene;sulfamic acid.
What is the SMILES notation for chlorobenzene;sulfamic acid?
The canonical SMILES for chlorobenzene;sulfamic acid is Clc1ccccc1.NS(=O)(=O)O.
What is the InChIKey of chlorobenzene;sulfamic acid?
The InChIKey is YYFFTLKFNBDYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl.H3NO3S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H;(H3,1,2,3,4).
What are the key properties of chlorobenzene;sulfamic acid?
chlorobenzene;sulfamic acid has a molecular weight of 209.65 g/mol, XLogP of 1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;sulfamic acid is sourced from PubChem (CID 70097834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).