N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide

C17H17ClN2O4S — CID 3158002

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C17H17ClN2O4S/c18-15-7-6-14(19-17(21)13-4-2-1-3-5-13)12-16(15)25(22,23)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,21)
InChIKeyGKCBNNYYHQNJLZ-UHFFFAOYSA-N
MW380.85 g/mol
LogP2.61
Rot. Bonds4

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 3158002) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID3158002
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C17H17ClN2O4S/c18-15-7-6-14(19-17(21)13-4-2-1-3-5-13)12-16(15)25(22,23)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,21)
InChIKeyGKCBNNYYHQNJLZ-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-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide (CID 3158002) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is GKCBNNYYHQNJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c18-15-7-6-14(19-17(21)13-4-2-1-3-5-13)12-16(15)25(22,23)20-8-10-24-11-9-20/h1-7,12H,8-11H2,(H,19,21).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide 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-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 3158002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).