5-(tert-butylsulfamoyl)-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methylbenzamide

C23H28ClN3O4S — CID 55727057

IUPAC5-(tert-butylsulfamoyl)-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1
InChIInChI=1S/C23H28ClN3O4S/c1-15-7-9-17(32(30,31)26-23(2,3)4)14-19(15)21(28)25-20-13-16(24)8-10-18(20)22(29)27-11-5-6-12-27/h7-10,13-14,26H,5-6,11-12H2,1-4H3,(H,25,28)
InChIKeyLFKVCJQOMGUSGN-UHFFFAOYSA-N
MW478.01 g/mol
LogP4.21
Rot. Bonds5

About 5-(tert-butylsulfamoyl)-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methylbenzamide

5-(tert-butylsulfamoyl)-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methylbenzamide (PubChem CID 55727057) has the molecular formula C23H28ClN3O4S and a molecular weight of 478.01 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methylbenzamide
PubChem CID55727057
Molecular FormulaC23H28ClN3O4S
Molecular Weight478.01 g/mol
Exact Mass477.15
IUPAC Name5-(tert-butylsulfamoyl)-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1
InChIInChI=1S/C23H28ClN3O4S/c1-15-7-9-17(32(30,31)26-23(2,3)4)14-19(15)21(28)25-20-13-16(24)8-10-18(20)22(29)27-11-5-6-12-27/h7-10,13-14,26H,5-6,11-12H2,1-4H3,(H,25,28)
InChIKeyLFKVCJQOMGUSGN-UHFFFAOYSA-N
XLogP4.21
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.01
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]-4-methylbenzenesulfonamide
CID 55474602
5-(tert-butylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)-2-methylbenzamide
CID 51166421
4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide
CID 29411178
N-tert-butyl-3-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 31279901
ethyl 4-[5-(tert-butylsulfamoyl)-2-methylbenzoyl]piperazine-1-carboxylate
CID 35508539
5-(tert-butylsulfamoyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylbenzamide
CID 55610005
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-fluoro-4-methylbenzenesulfonamide
CID 60534962
5-(tert-butylsulfamoyl)-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085916
5-(tert-butylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 6463060
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 60534480
5-(tert-butylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-2-methylbenzamide
CID 26414248
N-(5-chloro-2-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43007142

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methylbenzamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methylbenzamide (CID 55727057) is 5-(tert-butylsulfamoyl)-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methylbenzamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methylbenzamide?
The InChIKey is LFKVCJQOMGUSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4S/c1-15-7-9-17(32(30,31)26-23(2,3)4)14-19(15)21(28)25-20-13-16(24)8-10-18(20)22(29)27-11-5-6-12-27/h7-10,13-14,26H,5-6,11-12H2,1-4H3,(H,25,28).
What are the key properties of 5-(tert-butylsulfamoyl)-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methylbenzamide?
5-(tert-butylsulfamoyl)-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methylbenzamide has a molecular weight of 478.01 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 55727057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).