N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

C19H21ClN2O6S — CID 18892295

IUPACN-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1Cl
InChIInChI=1S/C19H21ClN2O6S/c1-26-16-6-4-14(12-15(16)20)21-19(23)13-3-5-17(27-2)18(11-13)29(24,25)22-7-9-28-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,21,23)
InChIKeyPLAUVHMIWXVWID-UHFFFAOYSA-N
MW440.91 g/mol
LogP2.63
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 18892295) has the molecular formula C19H21ClN2O6S and a molecular weight of 440.91 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
PubChem CID18892295
Molecular FormulaC19H21ClN2O6S
Molecular Weight440.91 g/mol
Exact Mass440.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1Cl
InChIInChI=1S/C19H21ClN2O6S/c1-26-16-6-4-14(12-15(16)20)21-19(23)13-3-5-17(27-2)18(11-13)29(24,25)22-7-9-28-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,21,23)
InChIKeyPLAUVHMIWXVWID-UHFFFAOYSA-N
XLogP2.63
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (CID 18892295) is N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is PLAUVHMIWXVWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O6S/c1-26-16-6-4-14(12-15(16)20)21-19(23)13-3-5-17(27-2)18(11-13)29(24,25)22-7-9-28-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,21,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 440.91 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 18892295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).