5-(cyclopropylsulfonylamino)-2-ethoxybenzenesulfonyl chloride

C11H14ClNO5S2 — CID 64552205

IUPAC5-(cyclopropylsulfonylamino)-2-ethoxybenzenesulfonyl chloride
SMILESCCOc1ccc(NS(=O)(=O)C2CC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H14ClNO5S2/c1-2-18-10-6-3-8(7-11(10)19(12,14)15)13-20(16,17)9-4-5-9/h3,6-7,9,13H,2,4-5H2,1H3
InChIKeyBWEBTINECOBFOS-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.92
Rot. Bonds6

About 5-(cyclopropylsulfonylamino)-2-ethoxybenzenesulfonyl chloride

5-(cyclopropylsulfonylamino)-2-ethoxybenzenesulfonyl chloride (PubChem CID 64552205) has the molecular formula C11H14ClNO5S2 and a molecular weight of 339.82 g/mol. Its IUPAC name is 5-(cyclopropylsulfonylamino)-2-ethoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(cyclopropylsulfonylamino)-2-ethoxybenzenesulfonyl chloride
PubChem CID64552205
Molecular FormulaC11H14ClNO5S2
Molecular Weight339.82 g/mol
Exact Mass339.00
IUPAC Name5-(cyclopropylsulfonylamino)-2-ethoxybenzenesulfonyl chloride
SMILESCCOc1ccc(NS(=O)(=O)C2CC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H14ClNO5S2/c1-2-18-10-6-3-8(7-11(10)19(12,14)15)13-20(16,17)9-4-5-9/h3,6-7,9,13H,2,4-5H2,1H3
InChIKeyBWEBTINECOBFOS-UHFFFAOYSA-N
XLogP1.92
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopropylsulfonylamino)-2-methoxybenzenesulfonyl chloride
CID 64552204
2-chloro-4-(cyclopentylsulfonylamino)benzenesulfonyl chloride
CID 105361036
2-ethoxy-5-[(4-formylbenzoyl)amino]benzenesulfonyl chloride
CID 84819728
2-ethoxy-5-[(4-nitrobenzoyl)amino]benzenesulfonyl chloride
CID 2758762
N-(3-chlorophenyl)cyclopropanesulfonamide
CID 45497298
1,2-diethoxy-4-(sulfamoylamino)benzene
CID 112573189
5-chloro-2-ethoxy-N-(4-hydroxyphenyl)benzenesulfonamide
CID 138046171
N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 43134013
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
2-chloro-N-(4-ethoxy-3-methoxyphenyl)ethanesulfonamide
CID 107650750
N-[3-(chloromethyl)-4-ethoxyphenyl]-2-methylpropane-2-sulfonamide
CID 65032910
N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide
CID 61062480

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylsulfonylamino)-2-ethoxybenzenesulfonyl chloride?
The IUPAC name of 5-(cyclopropylsulfonylamino)-2-ethoxybenzenesulfonyl chloride (CID 64552205) is 5-(cyclopropylsulfonylamino)-2-ethoxybenzenesulfonyl chloride.
What is the SMILES notation for 5-(cyclopropylsulfonylamino)-2-ethoxybenzenesulfonyl chloride?
The canonical SMILES for 5-(cyclopropylsulfonylamino)-2-ethoxybenzenesulfonyl chloride is CCOc1ccc(NS(=O)(=O)C2CC2)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-(cyclopropylsulfonylamino)-2-ethoxybenzenesulfonyl chloride?
The InChIKey is BWEBTINECOBFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO5S2/c1-2-18-10-6-3-8(7-11(10)19(12,14)15)13-20(16,17)9-4-5-9/h3,6-7,9,13H,2,4-5H2,1H3.
What are the key properties of 5-(cyclopropylsulfonylamino)-2-ethoxybenzenesulfonyl chloride?
5-(cyclopropylsulfonylamino)-2-ethoxybenzenesulfonyl chloride has a molecular weight of 339.82 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylsulfonylamino)-2-ethoxybenzenesulfonyl chloride is sourced from PubChem (CID 64552205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).