N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide

C18H21N3O7S2 — CID 24636022

IUPACN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H21N3O7S2/c1-27-17-7-6-15(30(25,26)21-8-10-28-11-9-21)12-16(17)20-18(22)13-2-4-14(5-3-13)29(19,23)24/h2-7,12H,8-11H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyGNAOJTJZUQQOLJ-UHFFFAOYSA-N
MW455.51 g/mol
LogP0.62
Rot. Bonds6

About N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide (PubChem CID 24636022) has the molecular formula C18H21N3O7S2 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
PubChem CID24636022
Molecular FormulaC18H21N3O7S2
Molecular Weight455.51 g/mol
Exact Mass455.08
IUPAC NameN-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H21N3O7S2/c1-27-17-7-6-15(30(25,26)21-8-10-28-11-9-21)12-16(17)20-18(22)13-2-4-14(5-3-13)29(19,23)24/h2-7,12H,8-11H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyGNAOJTJZUQQOLJ-UHFFFAOYSA-N
XLogP0.62
TPSA145.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4875043
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4852404
4-(ethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 24636024
6-methoxy-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-3-carboxamide
CID 27283385
ethyl N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamate
CID 9472159
3,4-dimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 4521937
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 28631793
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
3-(dimethylsulfamoyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 5029544
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenoxybenzamide
CID 3665512
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 42993641
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 38019961

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide (CID 24636022) is N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide?
The InChIKey is GNAOJTJZUQQOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O7S2/c1-27-17-7-6-15(30(25,26)21-8-10-28-11-9-21)12-16(17)20-18(22)13-2-4-14(5-3-13)29(19,23)24/h2-7,12H,8-11H2,1H3,(H,20,22)(H2,19,23,24).
What are the key properties of N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide?
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide has a molecular weight of 455.51 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide is sourced from PubChem (CID 24636022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).