N-(2-chlorophenyl)-4-morpholin-4-ylsulfonylbenzamide

C17H17ClN2O4S — CID 1152895

IUPACN-(2-chlorophenyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H17ClN2O4S/c18-15-3-1-2-4-16(15)19-17(21)13-5-7-14(8-6-13)25(22,23)20-9-11-24-12-10-20/h1-8H,9-12H2,(H,19,21)
InChIKeyCUFNCAFZRKZKTC-UHFFFAOYSA-N
MW380.85 g/mol
LogP2.61
Rot. Bonds4

About N-(2-chlorophenyl)-4-morpholin-4-ylsulfonylbenzamide

N-(2-chlorophenyl)-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 1152895) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-morpholin-4-ylsulfonylbenzamide
PubChem CID1152895
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC NameN-(2-chlorophenyl)-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H17ClN2O4S/c18-15-3-1-2-4-16(15)19-17(21)13-5-7-14(8-6-13)25(22,23)20-9-11-24-12-10-20/h1-8H,9-12H2,(H,19,21)
InChIKeyCUFNCAFZRKZKTC-UHFFFAOYSA-N
XLogP2.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-chlorophenyl)-4-morpholin-4-ylsulfonylbenzamide (CID 1152895) is N-(2-chlorophenyl)-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-chlorophenyl)-4-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ccccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is CUFNCAFZRKZKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c18-15-3-1-2-4-16(15)19-17(21)13-5-7-14(8-6-13)25(22,23)20-9-11-24-12-10-20/h1-8H,9-12H2,(H,19,21).
What are the key properties of N-(2-chlorophenyl)-4-morpholin-4-ylsulfonylbenzamide?
N-(2-chlorophenyl)-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 380.85 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1152895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).