N-(3,5-dichlorophenyl)-1-[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]pyrrolidine-2-carboxamide

C22H25Cl2N3O4S — CID 55613875

IUPACN-(3,5-dichlorophenyl)-1-[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]pyrrolidine-2-carboxamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CCCC2C(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C22H25Cl2N3O4S/c1-14(2)26(3)32(30,31)19-7-4-6-15(10-19)22(29)27-9-5-8-20(27)21(28)25-18-12-16(23)11-17(24)13-18/h4,6-7,10-14,20H,5,8-9H2,1-3H3,(H,25,28)
InChIKeySCPLRFVJYQBIMJ-UHFFFAOYSA-N
MW498.43 g/mol
LogP4.27
Rot. Bonds6

About N-(3,5-dichlorophenyl)-1-[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]pyrrolidine-2-carboxamide

N-(3,5-dichlorophenyl)-1-[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]pyrrolidine-2-carboxamide (PubChem CID 55613875) has the molecular formula C22H25Cl2N3O4S and a molecular weight of 498.43 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]pyrrolidine-2-carboxamide
PubChem CID55613875
Molecular FormulaC22H25Cl2N3O4S
Molecular Weight498.43 g/mol
Exact Mass497.09
IUPAC NameN-(3,5-dichlorophenyl)-1-[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]pyrrolidine-2-carboxamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CCCC2C(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C22H25Cl2N3O4S/c1-14(2)26(3)32(30,31)19-7-4-6-15(10-19)22(29)27-9-5-8-20(27)21(28)25-18-12-16(23)11-17(24)13-18/h4,6-7,10-14,20H,5,8-9H2,1-3H3,(H,25,28)
InChIKeySCPLRFVJYQBIMJ-UHFFFAOYSA-N
XLogP4.27
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide
CID 55873911
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119632815
(2S)-N-(2,5-dichlorophenyl)-1-[3-(propan-2-ylsulfamoyl)benzoyl]piperidine-2-carboxamide
CID 52910121
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119436148
1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119293629
methyl (2S)-2-[[3-(dimethylsulfamoyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 52522731
3-(azepane-1-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 35810133
N-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119396945
N-(3,5-dichlorophenyl)-1-[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]pyrrolidine-2-carboxamide
CID 55613853
1-[(2S)-2-aminopropanoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119293621
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119411388
(2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 92664894

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1-[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]pyrrolidine-2-carboxamide (CID 55613875) is N-(3,5-dichlorophenyl)-1-[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]pyrrolidine-2-carboxamide is CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2CCCC2C(=O)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is SCPLRFVJYQBIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O4S/c1-14(2)26(3)32(30,31)19-7-4-6-15(10-19)22(29)27-9-5-8-20(27)21(28)25-18-12-16(23)11-17(24)13-18/h4,6-7,10-14,20H,5,8-9H2,1-3H3,(H,25,28).
What are the key properties of N-(3,5-dichlorophenyl)-1-[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]pyrrolidine-2-carboxamide?
N-(3,5-dichlorophenyl)-1-[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 498.43 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55613875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).