chlorosulfinyl(phenyl)carbamic acid

C7H6ClNO3S — CID 88751508

IUPACchlorosulfinyl(phenyl)carbamic acid
SMILESO=C(O)N(c1ccccc1)S(=O)Cl
InChIInChI=1S/C7H6ClNO3S/c8-13(12)9(7(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)
InChIKeyLIKAESCJKLUMOH-UHFFFAOYSA-N
MW219.65 g/mol
LogP1.99
Rot. Bonds2

About chlorosulfinyl(phenyl)carbamic acid

chlorosulfinyl(phenyl)carbamic acid (PubChem CID 88751508) has the molecular formula C7H6ClNO3S and a molecular weight of 219.65 g/mol. Its IUPAC name is chlorosulfinyl(phenyl)carbamic acid.

Molecular Properties

Compound Namechlorosulfinyl(phenyl)carbamic acid
PubChem CID88751508
Molecular FormulaC7H6ClNO3S
Molecular Weight219.65 g/mol
Exact Mass218.98
IUPAC Namechlorosulfinyl(phenyl)carbamic acid
SMILESO=C(O)N(c1ccccc1)S(=O)Cl
InChIInChI=1S/C7H6ClNO3S/c8-13(12)9(7(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)
InChIKeyLIKAESCJKLUMOH-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.65
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze chlorosulfinyl(phenyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cobalt;bis(diphenylcarbamic acid)
CID 155679078
(2S)-N-hydroxy-2-[(2S)-1-(N-hydroxyanilino)-1-oxopropan-2-yl]sulfinyl-N-phenylpropanamide
CID 87844242
2-chloro-N-hydroxy-N-phenylpropanamide
CID 57100198
N-hydroxy-N-phenylbenzamide;tungsten
CID 159148219
2-(N-carboxyanilino)-2-oxoacetic acid
CID 69036482
N-hydroxy-N-phenylprop-2-enamide
CID 11367183
hydroxymethyl(phenyl)carbamic acid
CID 69165687
[N-(disulfinocarbamoyl)anilino]benzene
CID 57238557
N-hydroxy-N,2,2-triphenylacetamide
CID 23854752
1,1'-biphenyl;thionyl dichloride
CID 88653349
2-chloro-N-(2-chloroacetyl)-N-phenylacetamide
CID 82309091
[hydroxy(phenyl)carbamoyl]-propylcarbamic acid
CID 87091898

Frequently Asked Questions

What is the IUPAC name of chlorosulfinyl(phenyl)carbamic acid?
The IUPAC name of chlorosulfinyl(phenyl)carbamic acid (CID 88751508) is chlorosulfinyl(phenyl)carbamic acid.
What is the SMILES notation for chlorosulfinyl(phenyl)carbamic acid?
The canonical SMILES for chlorosulfinyl(phenyl)carbamic acid is O=C(O)N(c1ccccc1)S(=O)Cl.
What is the InChIKey of chlorosulfinyl(phenyl)carbamic acid?
The InChIKey is LIKAESCJKLUMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO3S/c8-13(12)9(7(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11).
What are the key properties of chlorosulfinyl(phenyl)carbamic acid?
chlorosulfinyl(phenyl)carbamic acid has a molecular weight of 219.65 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosulfinyl(phenyl)carbamic acid is sourced from PubChem (CID 88751508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).