2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide

C19H21ClN2O5S — CID 26903364

IUPAC2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
SMILESO=C(NCCOc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C19H21ClN2O5S/c20-18-7-6-16(28(24,25)22-9-12-26-13-10-22)14-17(18)19(23)21-8-11-27-15-4-2-1-3-5-15/h1-7,14H,8-13H2,(H,21,23)
InChIKeyKVGFXEAPBDOKIQ-UHFFFAOYSA-N
MW424.91 g/mol
LogP2.17
Rot. Bonds7

About 2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide

2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide (PubChem CID 26903364) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is 2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
PubChem CID26903364
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC Name2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
SMILESO=C(NCCOc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C19H21ClN2O5S/c20-18-7-6-16(28(24,25)22-9-12-26-13-10-22)14-17(18)19(23)21-8-11-27-15-4-2-1-3-5-15/h1-7,14H,8-13H2,(H,21,23)
InChIKeyKVGFXEAPBDOKIQ-UHFFFAOYSA-N
XLogP2.17
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888
2-chloro-5-morpholin-4-ylsulfonyl-N-(4-phenylbutyl)benzamide
CID 17484284
2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 30502848
5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)furan-2-carboxamide
CID 30233770
2-methoxy-N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55586581
2-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26677034
N-[2-(4-morpholin-4-ylsulfonylphenoxy)ethyl]-2-phenoxypropanamide
CID 133234857
N-[2-(butylcarbamoyl)phenyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide
CID 28590712
2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1107138
5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide
CID 46387480
N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 24660007
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 2455724

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide (CID 26903364) is 2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide is O=C(NCCOc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide?
The InChIKey is KVGFXEAPBDOKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c20-18-7-6-16(28(24,25)22-9-12-26-13-10-22)14-17(18)19(23)21-8-11-27-15-4-2-1-3-5-15/h1-7,14H,8-13H2,(H,21,23).
What are the key properties of 2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide?
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide has a molecular weight of 424.91 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 26903364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).