2-ethoxy-5-[(4-formylbenzoyl)amino]benzenesulfonyl chloride

C16H14ClNO5S — CID 84819728

IUPAC2-ethoxy-5-[(4-formylbenzoyl)amino]benzenesulfonyl chloride
SMILESCCOc1ccc(NC(=O)c2ccc(C=O)cc2)cc1S(=O)(=O)Cl
InChIInChI=1S/C16H14ClNO5S/c1-2-23-14-8-7-13(9-15(14)24(17,21)22)18-16(20)12-5-3-11(10-19)4-6-12/h3-10H,2H2,1H3,(H,18,20)
InChIKeyRUXFEKGAYVFIGX-UHFFFAOYSA-N
MW367.81 g/mol
LogP3.08
Rot. Bonds6

About 2-ethoxy-5-[(4-formylbenzoyl)amino]benzenesulfonyl chloride

2-ethoxy-5-[(4-formylbenzoyl)amino]benzenesulfonyl chloride (PubChem CID 84819728) has the molecular formula C16H14ClNO5S and a molecular weight of 367.81 g/mol. Its IUPAC name is 2-ethoxy-5-[(4-formylbenzoyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-ethoxy-5-[(4-formylbenzoyl)amino]benzenesulfonyl chloride
PubChem CID84819728
Molecular FormulaC16H14ClNO5S
Molecular Weight367.81 g/mol
Exact Mass367.03
IUPAC Name2-ethoxy-5-[(4-formylbenzoyl)amino]benzenesulfonyl chloride
SMILESCCOc1ccc(NC(=O)c2ccc(C=O)cc2)cc1S(=O)(=O)Cl
InChIInChI=1S/C16H14ClNO5S/c1-2-23-14-8-7-13(9-15(14)24(17,21)22)18-16(20)12-5-3-11(10-19)4-6-12/h3-10H,2H2,1H3,(H,18,20)
InChIKeyRUXFEKGAYVFIGX-UHFFFAOYSA-N
XLogP3.08
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-5-[(4-nitrobenzoyl)amino]benzenesulfonyl chloride
CID 2758762
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide
CID 9470026
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-propan-2-ylbenzamide
CID 9470040
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(2-ethoxyphenyl)-4-formylbenzamide
CID 134025431
N-(4-formylphenyl)-3,4-dimethoxybenzamide
CID 106912264
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide
CID 8796668
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide
CID 26795599
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,5-dimethylbenzamide
CID 26421618
N-(4-ethoxy-3-methoxyphenyl)-4-(ethylsulfamoyl)benzamide
CID 9102814
4-[(carbamoylamino)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]benzamide
CID 31743702
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide
CID 15991907

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[(4-formylbenzoyl)amino]benzenesulfonyl chloride?
The IUPAC name of 2-ethoxy-5-[(4-formylbenzoyl)amino]benzenesulfonyl chloride (CID 84819728) is 2-ethoxy-5-[(4-formylbenzoyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 2-ethoxy-5-[(4-formylbenzoyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 2-ethoxy-5-[(4-formylbenzoyl)amino]benzenesulfonyl chloride is CCOc1ccc(NC(=O)c2ccc(C=O)cc2)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-ethoxy-5-[(4-formylbenzoyl)amino]benzenesulfonyl chloride?
The InChIKey is RUXFEKGAYVFIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO5S/c1-2-23-14-8-7-13(9-15(14)24(17,21)22)18-16(20)12-5-3-11(10-19)4-6-12/h3-10H,2H2,1H3,(H,18,20).
What are the key properties of 2-ethoxy-5-[(4-formylbenzoyl)amino]benzenesulfonyl chloride?
2-ethoxy-5-[(4-formylbenzoyl)amino]benzenesulfonyl chloride has a molecular weight of 367.81 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[(4-formylbenzoyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 84819728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).