4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide

C21H17Cl2FN2O4S — CID 112814102

IUPAC4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C21H17Cl2FN2O4S/c22-15-5-1-13(2-6-15)20(27)12-25-21(28)14-3-7-16(8-4-14)26-31(29,30)17-9-10-19(24)18(23)11-17/h1-11,20,26-27H,12H2,(H,25,28)
InChIKeyHCRXILPVDQWLTD-UHFFFAOYSA-N
MW483.35 g/mol
LogP4.40
Rot. Bonds7

About 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide

4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide (PubChem CID 112814102) has the molecular formula C21H17Cl2FN2O4S and a molecular weight of 483.35 g/mol. Its IUPAC name is 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
PubChem CID112814102
Molecular FormulaC21H17Cl2FN2O4S
Molecular Weight483.35 g/mol
Exact Mass482.03
IUPAC Name4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
SMILESO=C(NCC(O)c1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C21H17Cl2FN2O4S/c22-15-5-1-13(2-6-15)20(27)12-25-21(28)14-3-7-16(8-4-14)26-31(29,30)17-9-10-19(24)18(23)11-17/h1-11,20,26-27H,12H2,(H,25,28)
InChIKeyHCRXILPVDQWLTD-UHFFFAOYSA-N
XLogP4.40
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.35
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide?
The IUPAC name of 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide (CID 112814102) is 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide?
The canonical SMILES for 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide is O=C(NCC(O)c1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide?
The InChIKey is HCRXILPVDQWLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2FN2O4S/c22-15-5-1-13(2-6-15)20(27)12-25-21(28)14-3-7-16(8-4-14)26-31(29,30)17-9-10-19(24)18(23)11-17/h1-11,20,26-27H,12H2,(H,25,28).
What are the key properties of 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide?
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide has a molecular weight of 483.35 g/mol, XLogP of 4.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 112814102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).