4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide

C17H21N3O6S2 — CID 42909880

IUPAC4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H21N3O6S2/c1-12(11-26-2)20-28(24,25)16-7-3-13(4-8-16)17(21)19-14-5-9-15(10-6-14)27(18,22)23/h3-10,12,20H,11H2,1-2H3,(H,19,21)(H2,18,22,23)
InChIKeyAJWVCDMIFQUZHM-UHFFFAOYSA-N
MW427.50 g/mol
LogP0.90
Rot. Bonds8

About 4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide

4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide (PubChem CID 42909880) has the molecular formula C17H21N3O6S2 and a molecular weight of 427.50 g/mol. Its IUPAC name is 4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
PubChem CID42909880
Molecular FormulaC17H21N3O6S2
Molecular Weight427.50 g/mol
Exact Mass427.09
IUPAC Name4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
SMILESCOCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H21N3O6S2/c1-12(11-26-2)20-28(24,25)16-7-3-13(4-8-16)17(21)19-14-5-9-15(10-6-14)27(18,22)23/h3-10,12,20H,11H2,1-2H3,(H,19,21)(H2,18,22,23)
InChIKeyAJWVCDMIFQUZHM-UHFFFAOYSA-N
XLogP0.90
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]-N-(4-propylphenyl)benzamide
CID 9294142
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
CID 46616213
N-(3-chloro-4-fluorophenyl)-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9165962
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide
CID 2547899
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-methylbutanamide
CID 51331716
2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide
CID 78778266
4-(2-methoxyethoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17353518
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 4780813
N-(2,3-dimethylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9342410
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17160202
N-[4-(butan-2-ylsulfamoyl)phenyl]-4-(propanoylamino)benzamide
CID 4209013

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide (CID 42909880) is 4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide is COCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is AJWVCDMIFQUZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O6S2/c1-12(11-26-2)20-28(24,25)16-7-3-13(4-8-16)17(21)19-14-5-9-15(10-6-14)27(18,22)23/h3-10,12,20H,11H2,1-2H3,(H,19,21)(H2,18,22,23).
What are the key properties of 4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide?
4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 427.50 g/mol, XLogP of 0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 42909880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).