3-(3,3-diphenylpropylsulfamoyl)benzoic acid

C22H21NO4S — CID 2555971

IUPAC3-(3,3-diphenylpropylsulfamoyl)benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NCCC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H21NO4S/c24-22(25)19-12-7-13-20(16-19)28(26,27)23-15-14-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21,23H,14-15H2,(H,24,25)
InChIKeyHMMTYZGNGKIIOB-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.89
Rot. Bonds8

About 3-(3,3-diphenylpropylsulfamoyl)benzoic acid

3-(3,3-diphenylpropylsulfamoyl)benzoic acid (PubChem CID 2555971) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-(3,3-diphenylpropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-(3,3-diphenylpropylsulfamoyl)benzoic acid
PubChem CID2555971
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC Name3-(3,3-diphenylpropylsulfamoyl)benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NCCC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H21NO4S/c24-22(25)19-12-7-13-20(16-19)28(26,27)23-15-14-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21,23H,14-15H2,(H,24,25)
InChIKeyHMMTYZGNGKIIOB-UHFFFAOYSA-N
XLogP3.89
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2r)-2-[(Benzylsulfonyl)amino]-2-(Dihydroxyboranyl)ethyl]benzoic Acid
CID 49837194
2-(Benzylsulfamoyl)benzoic acid
CID 83379931
3-((2,2,2-Trifluoroethyl)sulfamoyl)benzoic acid
CID 4992775
3-(Methylsulfamoyl)benzoic acid
CID 252654
4-[[4-(4-Sulfamoylphenyl)phenyl]methyl]benzoic acid
CID 122194782
2-[[4-(4-Sulfamoylphenyl)phenyl]methyl]benzoic acid
CID 156011232
3-[[4-(4-Sulfamoylphenyl)phenyl]methyl]benzoic acid
CID 156021783
5-[(3,3-Diphenylpropyl)sulfamoyl]-2-methylbenzoic acid
CID 2555967
4-(Naphthalene-2-sulfonamidomethyl)benzoic acid
CID 2577221
3-[5-(Benzenesulfonamido)pentyl]-6-propan-2-ylazulene-1-carboxylic acid
CID 10003328
5-(2-Benzenesulfonylamino-ethylsulfanyl)-10,11-dihydro-5H-dibenzo[a,d]cycloheptene-3-carboxylic acid
CID 10026942
3-[7-(Benzenesulfonamido)heptyl]-6-propan-2-ylazulene-1-carboxylic acid
CID 10027602

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-diphenylpropylsulfamoyl)benzoic acid?
The IUPAC name of 3-(3,3-diphenylpropylsulfamoyl)benzoic acid (CID 2555971) is 3-(3,3-diphenylpropylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-(3,3-diphenylpropylsulfamoyl)benzoic acid?
The canonical SMILES for 3-(3,3-diphenylpropylsulfamoyl)benzoic acid is O=C(O)c1cccc(S(=O)(=O)NCCC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-(3,3-diphenylpropylsulfamoyl)benzoic acid?
The InChIKey is HMMTYZGNGKIIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c24-22(25)19-12-7-13-20(16-19)28(26,27)23-15-14-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,21,23H,14-15H2,(H,24,25).
What are the key properties of 3-(3,3-diphenylpropylsulfamoyl)benzoic acid?
3-(3,3-diphenylpropylsulfamoyl)benzoic acid has a molecular weight of 395.48 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-diphenylpropylsulfamoyl)benzoic acid is sourced from PubChem (CID 2555971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).