3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide

C23H25N3O6S2 — CID 43910095

IUPAC3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H25N3O6S2/c1-16(2)25-34(30,31)20-12-13-22(32-3)21(15-20)24-23(27)17-8-7-9-18(14-17)26-33(28,29)19-10-5-4-6-11-19/h4-16,25-26H,1-3H3,(H,24,27)
InChIKeyCZDYZIBHFQXFPB-UHFFFAOYSA-N
MW503.60 g/mol
LogP3.43
Rot. Bonds9

About 3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide

3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 43910095) has the molecular formula C23H25N3O6S2 and a molecular weight of 503.60 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
PubChem CID43910095
Molecular FormulaC23H25N3O6S2
Molecular Weight503.60 g/mol
Exact Mass503.12
IUPAC Name3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H25N3O6S2/c1-16(2)25-34(30,31)20-12-13-22(32-3)21(15-20)24-23(27)17-8-7-9-18(14-17)26-33(28,29)19-10-5-4-6-11-19/h4-16,25-26H,1-3H3,(H,24,27)
InChIKeyCZDYZIBHFQXFPB-UHFFFAOYSA-N
XLogP3.43
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.60
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonamido)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46771385
3-(benzenesulfonamido)-N-(2-methoxy-5-nitrophenyl)benzamide
CID 19062366
3-chloro-N-[2-methoxy-5-(phenylsulfamoyl)phenyl]benzamide
CID 4646574
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-3-phenylmethoxybenzamide
CID 43908166
N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41455271
N-[5-[[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100625843
3-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-cyclopropylbenzamide
CID 22109314
4-tert-butyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 30399035
4-methoxy-3-[[4-(phenylsulfamoyl)benzoyl]amino]benzamide
CID 55963635
3-methoxy-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 43908127
3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 132611720
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide (CID 43910095) is 3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide is COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is CZDYZIBHFQXFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S2/c1-16(2)25-34(30,31)20-12-13-22(32-3)21(15-20)24-23(27)17-8-7-9-18(14-17)26-33(28,29)19-10-5-4-6-11-19/h4-16,25-26H,1-3H3,(H,24,27).
What are the key properties of 3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide?
3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 503.60 g/mol, XLogP of 3.43, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 43910095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).