(5-chlorosulfonyl-2-pyridinyl) carbamate

C6H5ClN2O4S — CID 175221806

IUPAC(5-chlorosulfonyl-2-pyridinyl) carbamate
SMILESNC(=O)Oc1ccc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C6H5ClN2O4S/c7-14(11,12)4-1-2-5(9-3-4)13-6(8)10/h1-3H,(H2,8,10)
InChIKeyRVXQCLFVLHRQSU-UHFFFAOYSA-N
MW236.64 g/mol
LogP0.47
Rot. Bonds2

About (5-chlorosulfonyl-2-pyridinyl) carbamate

(5-chlorosulfonyl-2-pyridinyl) carbamate (PubChem CID 175221806) has the molecular formula C6H5ClN2O4S and a molecular weight of 236.64 g/mol. Its IUPAC name is (5-chlorosulfonyl-2-pyridinyl) carbamate.

Molecular Properties

Compound Name(5-chlorosulfonyl-2-pyridinyl) carbamate
PubChem CID175221806
Molecular FormulaC6H5ClN2O4S
Molecular Weight236.64 g/mol
Exact Mass235.97
IUPAC Name(5-chlorosulfonyl-2-pyridinyl) carbamate
SMILESNC(=O)Oc1ccc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C6H5ClN2O4S/c7-14(11,12)4-1-2-5(9-3-4)13-6(8)10/h1-3H,(H2,8,10)
InChIKeyRVXQCLFVLHRQSU-UHFFFAOYSA-N
XLogP0.47
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.64
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-carbamoyl-3-fluorophenoxy)pyridine-3-sulfonyl chloride
CID 115928135
6-cyclopropyloxypyridine-3-sulfonyl chloride
CID 130116328
methyl 5-chlorosulfonylpyridine-2-carboxylate
CID 55279599
6-(1-methoxypropan-2-yloxy)pyridine-3-sulfonyl chloride
CID 112572758
ethyl 2-(5-chlorosulfonyl-2-pyridinyl)acetate
CID 107334856
6-(4-methylsulfanylphenoxy)pyridine-3-sulfonyl chloride
CID 112572747
6-(hydroxymethyl)pyridine-3-sulfonyl chloride
CID 59177257
6-(3-bromophenoxy)pyridine-3-sulfonyl chloride
CID 112572590
6-(2-cyclobutylethoxy)pyridine-3-sulfonyl chloride
CID 114157245
6-(2-chloro-4-methylphenoxy)pyridine-3-sulfonyl chloride
CID 112572733
6-(2-thiophen-2-ylethoxy)pyridine-3-sulfonyl chloride
CID 112572719
6-(1,3-benzodioxol-5-yloxy)pyridine-3-sulfonyl chloride
CID 115928074

Frequently Asked Questions

What is the IUPAC name of (5-chlorosulfonyl-2-pyridinyl) carbamate?
The IUPAC name of (5-chlorosulfonyl-2-pyridinyl) carbamate (CID 175221806) is (5-chlorosulfonyl-2-pyridinyl) carbamate.
What is the SMILES notation for (5-chlorosulfonyl-2-pyridinyl) carbamate?
The canonical SMILES for (5-chlorosulfonyl-2-pyridinyl) carbamate is NC(=O)Oc1ccc(S(=O)(=O)Cl)cn1.
What is the InChIKey of (5-chlorosulfonyl-2-pyridinyl) carbamate?
The InChIKey is RVXQCLFVLHRQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O4S/c7-14(11,12)4-1-2-5(9-3-4)13-6(8)10/h1-3H,(H2,8,10).
What are the key properties of (5-chlorosulfonyl-2-pyridinyl) carbamate?
(5-chlorosulfonyl-2-pyridinyl) carbamate has a molecular weight of 236.64 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorosulfonyl-2-pyridinyl) carbamate is sourced from PubChem (CID 175221806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).