3-[(2-chlorophenyl)sulfamoyl]-N-(1-cyclopropylpyrrolidin-3-yl)benzamide

C20H22ClN3O3S — CID 47839090

IUPAC3-[(2-chlorophenyl)sulfamoyl]-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
SMILESO=C(NC1CCN(C2CC2)C1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C20H22ClN3O3S/c21-18-6-1-2-7-19(18)23-28(26,27)17-5-3-4-14(12-17)20(25)22-15-10-11-24(13-15)16-8-9-16/h1-7,12,15-16,23H,8-11,13H2,(H,22,25)
InChIKeyBVVAZXZHCIFMIU-UHFFFAOYSA-N
MW419.93 g/mol
LogP3.11
Rot. Bonds6

About 3-[(2-chlorophenyl)sulfamoyl]-N-(1-cyclopropylpyrrolidin-3-yl)benzamide

3-[(2-chlorophenyl)sulfamoyl]-N-(1-cyclopropylpyrrolidin-3-yl)benzamide (PubChem CID 47839090) has the molecular formula C20H22ClN3O3S and a molecular weight of 419.93 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfamoyl]-N-(1-cyclopropylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfamoyl]-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
PubChem CID47839090
Molecular FormulaC20H22ClN3O3S
Molecular Weight419.93 g/mol
Exact Mass419.11
IUPAC Name3-[(2-chlorophenyl)sulfamoyl]-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
SMILESO=C(NC1CCN(C2CC2)C1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C20H22ClN3O3S/c21-18-6-1-2-7-19(18)23-28(26,27)17-5-3-4-14(12-17)20(25)22-15-10-11-24(13-15)16-8-9-16/h1-7,12,15-16,23H,8-11,13H2,(H,22,25)
InChIKeyBVVAZXZHCIFMIU-UHFFFAOYSA-N
XLogP3.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214750
N-(1-cyclopropylpyrrolidin-3-yl)-3-methylbenzamide
CID 47938718
4-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214488
3-bromo-4-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 103841788
4-chloro-3-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214869
N-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 119476348
4-amino-3,5-dichloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 82833146
3-[(2-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 18108761
3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55858580
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251
3-[(2-chlorophenyl)sulfamoyl]-N-(3-cyclohexyloxypropyl)benzamide
CID 55408428
N-[(4-tert-butylcyclohexylidene)amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 3440194

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-(1-cyclopropylpyrrolidin-3-yl)benzamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-(1-cyclopropylpyrrolidin-3-yl)benzamide (CID 47839090) is 3-[(2-chlorophenyl)sulfamoyl]-N-(1-cyclopropylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfamoyl]-N-(1-cyclopropylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfamoyl]-N-(1-cyclopropylpyrrolidin-3-yl)benzamide is O=C(NC1CCN(C2CC2)C1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfamoyl]-N-(1-cyclopropylpyrrolidin-3-yl)benzamide?
The InChIKey is BVVAZXZHCIFMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3S/c21-18-6-1-2-7-19(18)23-28(26,27)17-5-3-4-14(12-17)20(25)22-15-10-11-24(13-15)16-8-9-16/h1-7,12,15-16,23H,8-11,13H2,(H,22,25).
What are the key properties of 3-[(2-chlorophenyl)sulfamoyl]-N-(1-cyclopropylpyrrolidin-3-yl)benzamide?
3-[(2-chlorophenyl)sulfamoyl]-N-(1-cyclopropylpyrrolidin-3-yl)benzamide has a molecular weight of 419.93 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfamoyl]-N-(1-cyclopropylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 47839090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).