5-[[[2-(4-chlorophenyl)-2-oxoethyl]amino]methyl]thiophene-2-sulfonyl chloride

C13H11Cl2NO3S2 — CID 71416509

IUPAC5-[[[2-(4-chlorophenyl)-2-oxoethyl]amino]methyl]thiophene-2-sulfonyl chloride
SMILESO=C(CNCc1ccc(S(=O)(=O)Cl)s1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11Cl2NO3S2/c14-10-3-1-9(2-4-10)12(17)8-16-7-11-5-6-13(20-11)21(15,18)19/h1-6,16H,7-8H2
InChIKeyMQILUUQIXPXZEZ-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.30
Rot. Bonds6

About 5-[[[2-(4-chlorophenyl)-2-oxoethyl]amino]methyl]thiophene-2-sulfonyl chloride

5-[[[2-(4-chlorophenyl)-2-oxoethyl]amino]methyl]thiophene-2-sulfonyl chloride (PubChem CID 71416509) has the molecular formula C13H11Cl2NO3S2 and a molecular weight of 364.28 g/mol. Its IUPAC name is 5-[[[2-(4-chlorophenyl)-2-oxoethyl]amino]methyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[[[2-(4-chlorophenyl)-2-oxoethyl]amino]methyl]thiophene-2-sulfonyl chloride
PubChem CID71416509
Molecular FormulaC13H11Cl2NO3S2
Molecular Weight364.28 g/mol
Exact Mass362.96
IUPAC Name5-[[[2-(4-chlorophenyl)-2-oxoethyl]amino]methyl]thiophene-2-sulfonyl chloride
SMILESO=C(CNCc1ccc(S(=O)(=O)Cl)s1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11Cl2NO3S2/c14-10-3-1-9(2-4-10)12(17)8-16-7-11-5-6-13(20-11)21(15,18)19/h1-6,16H,7-8H2
InChIKeyMQILUUQIXPXZEZ-UHFFFAOYSA-N
XLogP3.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(4-chlorophenyl)-2-oxoethyl]amino]methyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[[[2-(4-chlorophenyl)-2-oxoethyl]amino]methyl]thiophene-2-sulfonyl chloride (CID 71416509) is 5-[[[2-(4-chlorophenyl)-2-oxoethyl]amino]methyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[[[2-(4-chlorophenyl)-2-oxoethyl]amino]methyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[[[2-(4-chlorophenyl)-2-oxoethyl]amino]methyl]thiophene-2-sulfonyl chloride is O=C(CNCc1ccc(S(=O)(=O)Cl)s1)c1ccc(Cl)cc1.
What is the InChIKey of 5-[[[2-(4-chlorophenyl)-2-oxoethyl]amino]methyl]thiophene-2-sulfonyl chloride?
The InChIKey is MQILUUQIXPXZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3S2/c14-10-3-1-9(2-4-10)12(17)8-16-7-11-5-6-13(20-11)21(15,18)19/h1-6,16H,7-8H2.
What are the key properties of 5-[[[2-(4-chlorophenyl)-2-oxoethyl]amino]methyl]thiophene-2-sulfonyl chloride?
5-[[[2-(4-chlorophenyl)-2-oxoethyl]amino]methyl]thiophene-2-sulfonyl chloride has a molecular weight of 364.28 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(4-chlorophenyl)-2-oxoethyl]amino]methyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 71416509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).