methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate

C6H7ClN2O4S2 — CID 8501031

IUPACmethyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate
SMILESCOC(=O)NNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C6H7ClN2O4S2/c1-13-6(10)8-9-15(11,12)5-3-2-4(7)14-5/h2-3,9H,1H3,(H,8,10)
InChIKeyVSXRRSQHTKABRP-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.95
Rot. Bonds3

About methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate

methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate (PubChem CID 8501031) has the molecular formula C6H7ClN2O4S2 and a molecular weight of 270.72 g/mol. Its IUPAC name is methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate
PubChem CID8501031
Molecular FormulaC6H7ClN2O4S2
Molecular Weight270.72 g/mol
Exact Mass269.95
IUPAC Namemethyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate
SMILESCOC(=O)NNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C6H7ClN2O4S2/c1-13-6(10)8-9-15(11,12)5-3-2-4(7)14-5/h2-3,9H,1H3,(H,8,10)
InChIKeyVSXRRSQHTKABRP-UHFFFAOYSA-N
XLogP0.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide
CID 8500723
2-[2-(5-chlorothiophen-2-yl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
CID 9239780
N'-(5-chlorothiophen-2-yl)sulfonyl-2,4-dimethylbenzohydrazide
CID 8504948
2-[(5-chlorothiophen-2-yl)sulfonylamino]oxyacetic acid
CID 60661310
N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide
CID 47108883
methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-hydroxypropanoate
CID 43405378
methyl 1-[(5-chlorothiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylate
CID 31854379
methyl 3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methylthiophene-2-carboxylate
CID 10383342
methyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-4,4,4-trifluoro-3-(trifluoromethyl)butanoate
CID 87451510
5-chloro-N'-(4-ethoxyphenyl)sulfonylthiophene-2-sulfonohydrazide
CID 8523166
2-amino-N-(5-chlorothiophen-2-yl)sulfonylacetamide
CID 68844992
methyl N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]carbamate
CID 9304423

Frequently Asked Questions

What is the IUPAC name of methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate?
The IUPAC name of methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate (CID 8501031) is methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate.
What is the SMILES notation for methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate?
The canonical SMILES for methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate is COC(=O)NNS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate?
The InChIKey is VSXRRSQHTKABRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O4S2/c1-13-6(10)8-9-15(11,12)5-3-2-4(7)14-5/h2-3,9H,1H3,(H,8,10).
What are the key properties of methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate?
methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate has a molecular weight of 270.72 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate is sourced from PubChem (CID 8501031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).