4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide

C21H19N3O5S — CID 55963635

IUPAC4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H19N3O5S/c1-29-19-12-9-15(20(22)25)13-18(19)23-21(26)14-7-10-17(11-8-14)30(27,28)24-16-5-3-2-4-6-16/h2-13,24H,1H3,(H2,22,25)(H,23,26)
InChIKeyFRPAVRNFPMYKNB-UHFFFAOYSA-N
MW425.47 g/mol
LogP2.85
Rot. Bonds7

About 4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide

4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide (PubChem CID 55963635) has the molecular formula C21H19N3O5S and a molecular weight of 425.47 g/mol. Its IUPAC name is 4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide
PubChem CID55963635
Molecular FormulaC21H19N3O5S
Molecular Weight425.47 g/mol
Exact Mass425.10
IUPAC Name4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C21H19N3O5S/c1-29-19-12-9-15(20(22)25)13-18(19)23-21(26)14-7-10-17(11-8-14)30(27,28)24-16-5-3-2-4-6-16/h2-13,24H,1H3,(H2,22,25)(H,23,26)
InChIKeyFRPAVRNFPMYKNB-UHFFFAOYSA-N
XLogP2.85
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 24666755
3-chloro-N-[2-methoxy-5-(phenylsulfamoyl)phenyl]benzamide
CID 4646574
N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7939173
4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 121043668
4-[(4-fluorophenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)benzamide
CID 26709820
N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294861
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 90786253
N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 2985802
3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 43910095
4-[(4-ethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 7516537
N-(3-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 27167578
3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide
CID 19062366

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide?
The IUPAC name of 4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide (CID 55963635) is 4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide.
What is the SMILES notation for 4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide?
The canonical SMILES for 4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide is COc1ccc(C(N)=O)cc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide?
The InChIKey is FRPAVRNFPMYKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5S/c1-29-19-12-9-15(20(22)25)13-18(19)23-21(26)14-7-10-17(11-8-14)30(27,28)24-16-5-3-2-4-6-16/h2-13,24H,1H3,(H2,22,25)(H,23,26).
What are the key properties of 4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide?
4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide has a molecular weight of 425.47 g/mol, XLogP of 2.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 55963635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).