4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide

C17H19ClN2O4S — CID 31829485

IUPAC4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-2-24-15-7-9-16(10-8-15)25(22,23)20-12-11-19-17(21)13-3-5-14(18)6-4-13/h3-10,20H,2,11-12H2,1H3,(H,19,21)
InChIKeyVUVMQDSFFVAQAY-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.45
Rot. Bonds8

About 4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide

4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide (PubChem CID 31829485) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide
PubChem CID31829485
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-2-24-15-7-9-16(10-8-15)25(22,23)20-12-11-19-17(21)13-3-5-14(18)6-4-13/h3-10,20H,2,11-12H2,1H3,(H,19,21)
InChIKeyVUVMQDSFFVAQAY-UHFFFAOYSA-N
XLogP2.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 108572022
N-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 34190671
3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide
CID 108574321
4-ethoxy-N-[2-(methanesulfonamido)ethyl]benzamide
CID 108572051
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]furan-2-carboxamide
CID 31819893
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]naphthalene-1-carboxamide
CID 108573152
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145158
4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718070
N-(4-ethoxyphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 34677141
1-[2-(4-chlorophenoxy)ethyl]-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea
CID 36506005
4-chloro-N-[2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide
CID 34998826

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide (CID 31829485) is 4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide is CCOc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide?
The InChIKey is VUVMQDSFFVAQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-2-24-15-7-9-16(10-8-15)25(22,23)20-12-11-19-17(21)13-3-5-14(18)6-4-13/h3-10,20H,2,11-12H2,1H3,(H,19,21).
What are the key properties of 4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide?
4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide has a molecular weight of 382.87 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 31829485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).