2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide

C21H26ClN3O3S — CID 18274938

IUPAC2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C21H26ClN3O3S/c1-3-25(4-2)29(27,28)18-11-12-20(22)19(15-18)21(26)23-16-7-9-17(10-8-16)24-13-5-6-14-24/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,26)
InChIKeyGKUOECSHQPCCFV-UHFFFAOYSA-N
MW435.98 g/mol
LogP4.22
Rot. Bonds7

About 2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide

2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 18274938) has the molecular formula C21H26ClN3O3S and a molecular weight of 435.98 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID18274938
Molecular FormulaC21H26ClN3O3S
Molecular Weight435.98 g/mol
Exact Mass435.14
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C21H26ClN3O3S/c1-3-25(4-2)29(27,28)18-11-12-20(22)19(15-18)21(26)23-16-7-9-17(10-8-16)24-13-5-6-14-24/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,26)
InChIKeyGKUOECSHQPCCFV-UHFFFAOYSA-N
XLogP4.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(diethylsulfamoyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide
CID 60575411
N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 16610550
N-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 55463873
5-(diethylsulfamoyl)-2-methyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55811834
2-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55389012
2-chloro-5-(diethylsulfamoyl)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 3584182
2-chloro-5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide
CID 60552239
2-chloro-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 46387444
4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 78774378
2-chloro-5-(diethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 42280403
N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46387530
N-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46550803

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide (CID 18274938) is 2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is GKUOECSHQPCCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3S/c1-3-25(4-2)29(27,28)18-11-12-20(22)19(15-18)21(26)23-16-7-9-17(10-8-16)24-13-5-6-14-24/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,26).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide?
2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 435.98 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 18274938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).