2-chloro-5-(diethylsulfamoyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide

C23H30ClN3O3S — CID 60575411

IUPAC2-chloro-5-(diethylsulfamoyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCCC3)cc2)c1
InChIInChI=1S/C23H30ClN3O3S/c1-3-27(4-2)31(29,30)20-11-12-22(24)21(17-20)23(28)25-19-9-7-18(8-10-19)13-16-26-14-5-6-15-26/h7-12,17H,3-6,13-16H2,1-2H3,(H,25,28)
InChIKeyQHPXTTJDOBBCGM-UHFFFAOYSA-N
MW464.03 g/mol
LogP4.26
Rot. Bonds9

About 2-chloro-5-(diethylsulfamoyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide

2-chloro-5-(diethylsulfamoyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide (PubChem CID 60575411) has the molecular formula C23H30ClN3O3S and a molecular weight of 464.03 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide
PubChem CID60575411
Molecular FormulaC23H30ClN3O3S
Molecular Weight464.03 g/mol
Exact Mass463.17
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCCC3)cc2)c1
InChIInChI=1S/C23H30ClN3O3S/c1-3-27(4-2)31(29,30)20-11-12-22(24)21(17-20)23(28)25-19-9-7-18(8-10-19)13-16-26-14-5-6-15-26/h7-12,17H,3-6,13-16H2,1-2H3,(H,25,28)
InChIKeyQHPXTTJDOBBCGM-UHFFFAOYSA-N
XLogP4.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.03
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 18274938
N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46387530
N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 16610550
N-[4-(diethylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 41468608
2-chloro-5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide
CID 60552239
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-(4-amino-3,5-dichlorophenyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 55463873
N-(4-acetamido-3-methylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46550803
5-(azepan-1-ylsulfonyl)-N-[4-(diethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 28591164
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 8901829
2-chloro-5-(diethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364284

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide (CID 60575411) is 2-chloro-5-(diethylsulfamoyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCCC3)cc2)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide?
The InChIKey is QHPXTTJDOBBCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O3S/c1-3-27(4-2)31(29,30)20-11-12-22(24)21(17-20)23(28)25-19-9-7-18(8-10-19)13-16-26-14-5-6-15-26/h7-12,17H,3-6,13-16H2,1-2H3,(H,25,28).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide?
2-chloro-5-(diethylsulfamoyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide has a molecular weight of 464.03 g/mol, XLogP of 4.26, 9 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-(2-pyrrolidin-1-ylethyl)phenyl]benzamide is sourced from PubChem (CID 60575411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).