5-chloro-N-methylthiophene-2-carboxamide;4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)benzenesulfonyl chloride

C16H16Cl2N2O5S2 — CID 143436897

IUPAC5-chloro-N-methylthiophene-2-carboxamide;4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)benzenesulfonyl chloride
SMILESCC1CN(c2ccc(S(=O)(=O)Cl)cc2)C(=O)O1.CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H10ClNO4S.C6H6ClNOS/c1-7-6-12(10(13)16-7)8-2-4-9(5-3-8)17(11,14)15;1-8-6(9)4-2-3-5(7)10-4/h2-5,7H,6H2,1H3;2-3H,1H3,(H,8,9)
InChIKeyMNFILLJNJCBSSC-UHFFFAOYSA-N
MW451.35 g/mol
LogP3.72
Rot. Bonds3

About 5-chloro-N-methylthiophene-2-carboxamide;4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)benzenesulfonyl chloride

5-chloro-N-methylthiophene-2-carboxamide;4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)benzenesulfonyl chloride (PubChem CID 143436897) has the molecular formula C16H16Cl2N2O5S2 and a molecular weight of 451.35 g/mol. Its IUPAC name is 5-chloro-N-methylthiophene-2-carboxamide;4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-N-methylthiophene-2-carboxamide;4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)benzenesulfonyl chloride
PubChem CID143436897
Molecular FormulaC16H16Cl2N2O5S2
Molecular Weight451.35 g/mol
Exact Mass449.99
IUPAC Name5-chloro-N-methylthiophene-2-carboxamide;4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)benzenesulfonyl chloride
SMILESCC1CN(c2ccc(S(=O)(=O)Cl)cc2)C(=O)O1.CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H10ClNO4S.C6H6ClNOS/c1-7-6-12(10(13)16-7)8-2-4-9(5-3-8)17(11,14)15;1-8-6(9)4-2-3-5(7)10-4/h2-5,7H,6H2,1H3;2-3H,1H3,(H,8,9)
InChIKeyMNFILLJNJCBSSC-UHFFFAOYSA-N
XLogP3.72
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methylthiophene-2-carboxamide;4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)benzenesulfonyl chloride?
The IUPAC name of 5-chloro-N-methylthiophene-2-carboxamide;4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)benzenesulfonyl chloride (CID 143436897) is 5-chloro-N-methylthiophene-2-carboxamide;4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)benzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-N-methylthiophene-2-carboxamide;4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)benzenesulfonyl chloride?
The canonical SMILES for 5-chloro-N-methylthiophene-2-carboxamide;4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)benzenesulfonyl chloride is CC1CN(c2ccc(S(=O)(=O)Cl)cc2)C(=O)O1.CNC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-methylthiophene-2-carboxamide;4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)benzenesulfonyl chloride?
The InChIKey is MNFILLJNJCBSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO4S.C6H6ClNOS/c1-7-6-12(10(13)16-7)8-2-4-9(5-3-8)17(11,14)15;1-8-6(9)4-2-3-5(7)10-4/h2-5,7H,6H2,1H3;2-3H,1H3,(H,8,9).
What are the key properties of 5-chloro-N-methylthiophene-2-carboxamide;4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)benzenesulfonyl chloride?
5-chloro-N-methylthiophene-2-carboxamide;4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)benzenesulfonyl chloride has a molecular weight of 451.35 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methylthiophene-2-carboxamide;4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)benzenesulfonyl chloride is sourced from PubChem (CID 143436897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).