N-[(2-chlorophenyl)sulfonylmethyl]carbamoyl chloride

C8H7Cl2NO3S — CID 56978110

IUPACN-[(2-chlorophenyl)sulfonylmethyl]carbamoyl chloride
SMILESO=C(Cl)NCS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C8H7Cl2NO3S/c9-6-3-1-2-4-7(6)15(13,14)5-11-8(10)12/h1-4H,5H2,(H,11,12)
InChIKeyWXIABHOBORUXRP-UHFFFAOYSA-N
MW268.12 g/mol
LogP2.02
Rot. Bonds3

About N-[(2-chlorophenyl)sulfonylmethyl]carbamoyl chloride

N-[(2-chlorophenyl)sulfonylmethyl]carbamoyl chloride (PubChem CID 56978110) has the molecular formula C8H7Cl2NO3S and a molecular weight of 268.12 g/mol. Its IUPAC name is N-[(2-chlorophenyl)sulfonylmethyl]carbamoyl chloride.

Molecular Properties

Compound NameN-[(2-chlorophenyl)sulfonylmethyl]carbamoyl chloride
PubChem CID56978110
Molecular FormulaC8H7Cl2NO3S
Molecular Weight268.12 g/mol
Exact Mass266.95
IUPAC NameN-[(2-chlorophenyl)sulfonylmethyl]carbamoyl chloride
SMILESO=C(Cl)NCS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C8H7Cl2NO3S/c9-6-3-1-2-4-7(6)15(13,14)5-11-8(10)12/h1-4H,5H2,(H,11,12)
InChIKeyWXIABHOBORUXRP-UHFFFAOYSA-N
XLogP2.02
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 13345372
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2-amino-3-(2-chlorophenyl)sulfonylpropanoic acid
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(2R)-2-[(2-chlorophenyl)sulfonylmethyl]oxirane
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2-acetamido-3-(2-chlorophenyl)sulfonylpropanoic acid
CID 64583138
2-(2-chlorophenyl)sulfonyl-1-cyclohexylethanone
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6-(2-chlorophenyl)sulfonylhexan-3-one
CID 106807675
1-chloro-2-(nitromethylsulfonyl)benzene
CID 19875027
2-(2-chlorophenyl)sulfonyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
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3-[(2-chlorophenyl)sulfonylmethyl]bicyclo[1.1.1]pentane-1-carboxylic acid
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2-(2-chlorophenyl)sulfonyl-1-(2-methylphenyl)ethanol
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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)sulfonylmethyl]carbamoyl chloride?
The IUPAC name of N-[(2-chlorophenyl)sulfonylmethyl]carbamoyl chloride (CID 56978110) is N-[(2-chlorophenyl)sulfonylmethyl]carbamoyl chloride.
What is the SMILES notation for N-[(2-chlorophenyl)sulfonylmethyl]carbamoyl chloride?
The canonical SMILES for N-[(2-chlorophenyl)sulfonylmethyl]carbamoyl chloride is O=C(Cl)NCS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)sulfonylmethyl]carbamoyl chloride?
The InChIKey is WXIABHOBORUXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO3S/c9-6-3-1-2-4-7(6)15(13,14)5-11-8(10)12/h1-4H,5H2,(H,11,12).
What are the key properties of N-[(2-chlorophenyl)sulfonylmethyl]carbamoyl chloride?
N-[(2-chlorophenyl)sulfonylmethyl]carbamoyl chloride has a molecular weight of 268.12 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)sulfonylmethyl]carbamoyl chloride is sourced from PubChem (CID 56978110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).