4-(dipropylsulfamoyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzoic acid

C22H30N2O6S2 — CID 146167846

IUPAC4-(dipropylsulfamoyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzoic acid
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)c(CCNS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C22H30N2O6S2/c1-4-14-24(15-5-2)32(29,30)20-10-11-21(22(25)26)18(16-20)12-13-23-31(27,28)19-8-6-17(3)7-9-19/h6-11,16,23H,4-5,12-15H2,1-3H3,(H,25,26)
InChIKeyNQGZYGIOUJRTNX-UHFFFAOYSA-N
MW482.62 g/mol
LogP3.02
Rot. Bonds12

About 4-(dipropylsulfamoyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzoic acid

4-(dipropylsulfamoyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzoic acid (PubChem CID 146167846) has the molecular formula C22H30N2O6S2 and a molecular weight of 482.62 g/mol. Its IUPAC name is 4-(dipropylsulfamoyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-(dipropylsulfamoyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzoic acid
PubChem CID146167846
Molecular FormulaC22H30N2O6S2
Molecular Weight482.62 g/mol
Exact Mass482.15
IUPAC Name4-(dipropylsulfamoyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzoic acid
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)c(CCNS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C22H30N2O6S2/c1-4-14-24(15-5-2)32(29,30)20-10-11-21(22(25)26)18(16-20)12-13-23-31(27,28)19-8-6-17(3)7-9-19/h6-11,16,23H,4-5,12-15H2,1-3H3,(H,25,26)
InChIKeyNQGZYGIOUJRTNX-UHFFFAOYSA-N
XLogP3.02
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.62
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[3-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonyl-[3-[(4-methylphenyl)sulfonylamino]propyl]amino]ethyl]amino]propyl]benzenesulfonamide
CID 3090848
5-[2-hydroxyethyl(propyl)sulfamoyl]-2-methylbenzoic acid
CID 60951704
2-bromo-5-(dipropylsulfamoyl)benzoic acid
CID 43216890
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonyl-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethyl]amino]ethoxy]ethyl]benzenesulfonamide
CID 10532319
5-(decylsulfamoyl)-2-methylbenzoic acid
CID 100820311
2-[2-[ethyl(propyl)amino]ethyl]-4-sulfamoylbenzoic acid
CID 68597696
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520
2-butyl-4-(3-butyl-4-carboxyphenyl)sulfonylbenzoic acid
CID 69117543
N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide
CID 43136951
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
CID 113052047
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096
N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide
CID 61348592

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylsulfamoyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzoic acid?
The IUPAC name of 4-(dipropylsulfamoyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzoic acid (CID 146167846) is 4-(dipropylsulfamoyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzoic acid.
What is the SMILES notation for 4-(dipropylsulfamoyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzoic acid?
The canonical SMILES for 4-(dipropylsulfamoyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzoic acid is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)c(CCNS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 4-(dipropylsulfamoyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzoic acid?
The InChIKey is NQGZYGIOUJRTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O6S2/c1-4-14-24(15-5-2)32(29,30)20-10-11-21(22(25)26)18(16-20)12-13-23-31(27,28)19-8-6-17(3)7-9-19/h6-11,16,23H,4-5,12-15H2,1-3H3,(H,25,26).
What are the key properties of 4-(dipropylsulfamoyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzoic acid?
4-(dipropylsulfamoyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzoic acid has a molecular weight of 482.62 g/mol, XLogP of 3.02, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylsulfamoyl)-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzoic acid is sourced from PubChem (CID 146167846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).