4-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]sulfamoyl]benzoic acid

C18H19N3O8S2 — CID 171983464

IUPAC4-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C18H19N3O8S2/c22-17(19-20-30(25,26)15-5-3-14(4-6-15)18(23)24)13-1-7-16(8-2-13)31(27,28)21-9-11-29-12-10-21/h1-8,20H,9-12H2,(H,19,22)(H,23,24)
InChIKeyTUDTVFOCPWTOMN-UHFFFAOYSA-N
MW469.50 g/mol
LogP0.03
Rot. Bonds7

About 4-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]sulfamoyl]benzoic acid

4-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]sulfamoyl]benzoic acid (PubChem CID 171983464) has the molecular formula C18H19N3O8S2 and a molecular weight of 469.50 g/mol. Its IUPAC name is 4-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]sulfamoyl]benzoic acid
PubChem CID171983464
Molecular FormulaC18H19N3O8S2
Molecular Weight469.50 g/mol
Exact Mass469.06
IUPAC Name4-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C18H19N3O8S2/c22-17(19-20-30(25,26)15-5-3-14(4-6-15)18(23)24)13-1-7-16(8-2-13)31(27,28)21-9-11-29-12-10-21/h1-8,20H,9-12H2,(H,19,22)(H,23,24)
InChIKeyTUDTVFOCPWTOMN-UHFFFAOYSA-N
XLogP0.03
TPSA159.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
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4-hexoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24677372
N-(dicyclopropylmethyl)-4-morpholin-4-ylsulfonylbenzamide
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N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
N-(1-adamantyl)-4-morpholin-4-ylsulfonylbenzamide
CID 2882558
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896
4-morpholin-4-ylsulfonyl-N-(oxolan-3-yl)benzamide
CID 110868803
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CID 110416759

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]sulfamoyl]benzoic acid?
The IUPAC name of 4-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]sulfamoyl]benzoic acid (CID 171983464) is 4-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]sulfamoyl]benzoic acid?
The canonical SMILES for 4-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]sulfamoyl]benzoic acid is O=C(O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]sulfamoyl]benzoic acid?
The InChIKey is TUDTVFOCPWTOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O8S2/c22-17(19-20-30(25,26)15-5-3-14(4-6-15)18(23)24)13-1-7-16(8-2-13)31(27,28)21-9-11-29-12-10-21/h1-8,20H,9-12H2,(H,19,22)(H,23,24).
What are the key properties of 4-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]sulfamoyl]benzoic acid?
4-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]sulfamoyl]benzoic acid has a molecular weight of 469.50 g/mol, XLogP of 0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-morpholin-4-ylsulfonylbenzoyl)amino]sulfamoyl]benzoic acid is sourced from PubChem (CID 171983464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).