4-(phenylsulfamoyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide

C21H21N3O5S2 — CID 2446305

IUPAC4-(phenylsulfamoyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C21H21N3O5S2/c1-15(16-7-11-19(12-8-16)30(22,26)27)23-21(25)17-9-13-20(14-10-17)31(28,29)24-18-5-3-2-4-6-18/h2-15,24H,1H3,(H,23,25)(H2,22,26,27)/t15-/m1/s1
InChIKeyAHLBCPKNVXITFV-OAHLLOKOSA-N
MW459.55 g/mol
LogP2.63
Rot. Bonds7

About 4-(phenylsulfamoyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide

4-(phenylsulfamoyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 2446305) has the molecular formula C21H21N3O5S2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 4-(phenylsulfamoyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(phenylsulfamoyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID2446305
Molecular FormulaC21H21N3O5S2
Molecular Weight459.55 g/mol
Exact Mass459.09
IUPAC Name4-(phenylsulfamoyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C21H21N3O5S2/c1-15(16-7-11-19(12-8-16)30(22,26)27)23-21(25)17-9-13-20(14-10-17)31(28,29)24-18-5-3-2-4-6-18/h2-15,24H,1H3,(H,23,25)(H2,22,26,27)/t15-/m1/s1
InChIKeyAHLBCPKNVXITFV-OAHLLOKOSA-N
XLogP2.63
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(phenylsulfamoyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 2446308
4-(pyridin-4-ylsulfamoyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 55616707
4-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 2090399
4-[(4-fluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 9315283
4-[(4-fluorophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315282
N-[1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 132672025
3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 19062382
4-[(2-chlorophenyl)sulfamoyl]-N-(1-phenylethyl)benzamide
CID 55346393
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92681084
3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 9409977
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate
CID 55313712
3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 132664714

Frequently Asked Questions

What is the IUPAC name of 4-(phenylsulfamoyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 4-(phenylsulfamoyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide (CID 2446305) is 4-(phenylsulfamoyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(phenylsulfamoyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(phenylsulfamoyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide is C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(phenylsulfamoyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is AHLBCPKNVXITFV-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21N3O5S2/c1-15(16-7-11-19(12-8-16)30(22,26)27)23-21(25)17-9-13-20(14-10-17)31(28,29)24-18-5-3-2-4-6-18/h2-15,24H,1H3,(H,23,25)(H2,22,26,27)/t15-/m1/s1.
What are the key properties of 4-(phenylsulfamoyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide?
4-(phenylsulfamoyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 459.55 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylsulfamoyl)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 2446305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).