4-[(2-ethoxyacetyl)amino]-3,5-diethylbenzenesulfonyl chloride

C14H20ClNO4S — CID 43098447

IUPAC4-[(2-ethoxyacetyl)amino]-3,5-diethylbenzenesulfonyl chloride
SMILESCCOCC(=O)Nc1c(CC)cc(S(=O)(=O)Cl)cc1CC
InChIInChI=1S/C14H20ClNO4S/c1-4-10-7-12(21(15,18)19)8-11(5-2)14(10)16-13(17)9-20-6-3/h7-8H,4-6,9H2,1-3H3,(H,16,17)
InChIKeyBYHPFSDOYSSWLO-UHFFFAOYSA-N
MW333.84 g/mol
LogP2.71
Rot. Bonds7

About 4-[(2-ethoxyacetyl)amino]-3,5-diethylbenzenesulfonyl chloride

4-[(2-ethoxyacetyl)amino]-3,5-diethylbenzenesulfonyl chloride (PubChem CID 43098447) has the molecular formula C14H20ClNO4S and a molecular weight of 333.84 g/mol. Its IUPAC name is 4-[(2-ethoxyacetyl)amino]-3,5-diethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(2-ethoxyacetyl)amino]-3,5-diethylbenzenesulfonyl chloride
PubChem CID43098447
Molecular FormulaC14H20ClNO4S
Molecular Weight333.84 g/mol
Exact Mass333.08
IUPAC Name4-[(2-ethoxyacetyl)amino]-3,5-diethylbenzenesulfonyl chloride
SMILESCCOCC(=O)Nc1c(CC)cc(S(=O)(=O)Cl)cc1CC
InChIInChI=1S/C14H20ClNO4S/c1-4-10-7-12(21(15,18)19)8-11(5-2)14(10)16-13(17)9-20-6-3/h7-8H,4-6,9H2,1-3H3,(H,16,17)
InChIKeyBYHPFSDOYSSWLO-UHFFFAOYSA-N
XLogP2.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzenesulfonyl chloride
CID 43097969
3,5-diethyl-4-(pentanoylamino)benzenesulfonyl chloride
CID 43103561
3-ethyl-5-methyl-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride
CID 115949334
2-ethoxy-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 107646149
N-(2,6-diethyl-4-sulfamoylphenyl)propanamide
CID 2726194
4-[(2-ethoxyacetyl)amino]-2-fluorobenzenesulfonyl chloride
CID 43210055
N-(2-chloro-5-sulfamoylphenyl)-2-ethoxyacetamide
CID 61130321
3-methyl-4-[(2-propoxyacetyl)amino]benzenesulfonyl chloride
CID 107938552
N-(2,6-diethyl-4-sulfamoylphenyl)acetamide
CID 2726107
3,5-dimethyl-4-(pentanoylamino)benzenesulfonyl chloride
CID 18070783
N-(2,6-dichloro-3-methylphenyl)-2-ethoxyacetamide
CID 64591166
N-(2-bromo-4-sulfamoylphenyl)-2-ethoxyacetamide
CID 43134112

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxyacetyl)amino]-3,5-diethylbenzenesulfonyl chloride?
The IUPAC name of 4-[(2-ethoxyacetyl)amino]-3,5-diethylbenzenesulfonyl chloride (CID 43098447) is 4-[(2-ethoxyacetyl)amino]-3,5-diethylbenzenesulfonyl chloride.
What is the SMILES notation for 4-[(2-ethoxyacetyl)amino]-3,5-diethylbenzenesulfonyl chloride?
The canonical SMILES for 4-[(2-ethoxyacetyl)amino]-3,5-diethylbenzenesulfonyl chloride is CCOCC(=O)Nc1c(CC)cc(S(=O)(=O)Cl)cc1CC.
What is the InChIKey of 4-[(2-ethoxyacetyl)amino]-3,5-diethylbenzenesulfonyl chloride?
The InChIKey is BYHPFSDOYSSWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4S/c1-4-10-7-12(21(15,18)19)8-11(5-2)14(10)16-13(17)9-20-6-3/h7-8H,4-6,9H2,1-3H3,(H,16,17).
What are the key properties of 4-[(2-ethoxyacetyl)amino]-3,5-diethylbenzenesulfonyl chloride?
4-[(2-ethoxyacetyl)amino]-3,5-diethylbenzenesulfonyl chloride has a molecular weight of 333.84 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxyacetyl)amino]-3,5-diethylbenzenesulfonyl chloride is sourced from PubChem (CID 43098447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).