(3-chlorosulfonylthiophen-2-yl) methyl carbonate

C6H5ClO5S2 — CID 89266799

IUPAC(3-chlorosulfonylthiophen-2-yl) methyl carbonate
SMILESCOC(=O)Oc1sccc1S(=O)(=O)Cl
InChIInChI=1S/C6H5ClO5S2/c1-11-6(8)12-5-4(2-3-13-5)14(7,9)10/h2-3H,1H3
InChIKeyYMGVXVLWYOKDTN-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.82
Rot. Bonds2

About (3-chlorosulfonylthiophen-2-yl) methyl carbonate

(3-chlorosulfonylthiophen-2-yl) methyl carbonate (PubChem CID 89266799) has the molecular formula C6H5ClO5S2 and a molecular weight of 256.69 g/mol. Its IUPAC name is (3-chlorosulfonylthiophen-2-yl) methyl carbonate.

Molecular Properties

Compound Name(3-chlorosulfonylthiophen-2-yl) methyl carbonate
PubChem CID89266799
Molecular FormulaC6H5ClO5S2
Molecular Weight256.69 g/mol
Exact Mass255.93
IUPAC Name(3-chlorosulfonylthiophen-2-yl) methyl carbonate
SMILESCOC(=O)Oc1sccc1S(=O)(=O)Cl
InChIInChI=1S/C6H5ClO5S2/c1-11-6(8)12-5-4(2-3-13-5)14(7,9)10/h2-3H,1H3
InChIKeyYMGVXVLWYOKDTN-UHFFFAOYSA-N
XLogP1.82
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxythiophene-3-sulfonyl chloride
CID 18769960
2-(3-chlorosulfonylthiophen-2-yl)oxyacetic acid
CID 140997856
[3-[[2-methoxy-4-(propan-2-ylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate
CID 71093006
[3-[[4-(cyclohexylamino)-2-methoxyphenyl]sulfamoyl]thiophen-2-yl] methyl carbonate
CID 71093011
(3-benzylsulfanylthiophen-2-yl) methyl carbonate
CID 22362910
propyl 3-chlorosulfonylthiophene-2-carboxylate
CID 22417293
methyl [3-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonylthiophen-2-yl] carbonate
CID 69028241
methyl 3-(S-amino-N-methylsulfonimidoyl)thiophene-2-carboxylate
CID 156531143
methyl 4-chlorosulfonyl-2-methylthiophene-3-carboxylate
CID 172915706
methyl 3-chloro-4-chlorosulfonylthiophene-2-carboxylate
CID 166081388
4,4-difluoro-3-[(2-methoxythiophen-3-yl)sulfonylamino]-3-methylbutanoic acid
CID 167954729
methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate
CID 78836894

Frequently Asked Questions

What is the IUPAC name of (3-chlorosulfonylthiophen-2-yl) methyl carbonate?
The IUPAC name of (3-chlorosulfonylthiophen-2-yl) methyl carbonate (CID 89266799) is (3-chlorosulfonylthiophen-2-yl) methyl carbonate.
What is the SMILES notation for (3-chlorosulfonylthiophen-2-yl) methyl carbonate?
The canonical SMILES for (3-chlorosulfonylthiophen-2-yl) methyl carbonate is COC(=O)Oc1sccc1S(=O)(=O)Cl.
What is the InChIKey of (3-chlorosulfonylthiophen-2-yl) methyl carbonate?
The InChIKey is YMGVXVLWYOKDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO5S2/c1-11-6(8)12-5-4(2-3-13-5)14(7,9)10/h2-3H,1H3.
What are the key properties of (3-chlorosulfonylthiophen-2-yl) methyl carbonate?
(3-chlorosulfonylthiophen-2-yl) methyl carbonate has a molecular weight of 256.69 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorosulfonylthiophen-2-yl) methyl carbonate is sourced from PubChem (CID 89266799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).