4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid

C19H24N2O4S — CID 122030686

IUPAC4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid
SMILESCC(C)N(C)S(=O)(=O)c1ccc(CNCc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-14(2)21(3)26(24,25)18-10-6-16(7-11-18)13-20-12-15-4-8-17(9-5-15)19(22)23/h4-11,14,20H,12-13H2,1-3H3,(H,22,23)
InChIKeyARZUOFODTNARPY-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.70
Rot. Bonds8

About 4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid

4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid (PubChem CID 122030686) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid
PubChem CID122030686
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid
SMILESCC(C)N(C)S(=O)(=O)c1ccc(CNCc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C19H24N2O4S/c1-14(2)21(3)26(24,25)18-10-6-16(7-11-18)13-20-12-15-4-8-17(9-5-15)19(22)23/h4-11,14,20H,12-13H2,1-3H3,(H,22,23)
InChIKeyARZUOFODTNARPY-UHFFFAOYSA-N
XLogP2.70
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide
CID 54921908
4-[[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]methyl]benzoic acid
CID 122031179
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-1-phenylcyclobutane-1-carboxamide
CID 47731867
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 47731570
4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
CID 43271840
N-(2-methylbutan-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51320644
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-propylsulfonylpropanamide
CID 47732115
4-[[(4-ethylphenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 2988484
3-methyl-2-[[4-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]butanoic acid
CID 119170436
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 60584976
N-[(4-ethylphenyl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 38045291
2-amino-3-methyl-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]pentanamide;hydrochloride
CID 119748877

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid?
The IUPAC name of 4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid (CID 122030686) is 4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid?
The canonical SMILES for 4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid is CC(C)N(C)S(=O)(=O)c1ccc(CNCc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid?
The InChIKey is ARZUOFODTNARPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-14(2)21(3)26(24,25)18-10-6-16(7-11-18)13-20-12-15-4-8-17(9-5-15)19(22)23/h4-11,14,20H,12-13H2,1-3H3,(H,22,23).
What are the key properties of 4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid?
4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid has a molecular weight of 376.48 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methylamino]methyl]benzoic acid is sourced from PubChem (CID 122030686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).