N-[4-[(2-chloro-5-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]acetamide

C18H20ClN3O3S — CID 110361959

IUPACN-[4-[(2-chloro-5-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(N3CCCC3)ccc2Cl)cc1
InChIInChI=1S/C18H20ClN3O3S/c1-13(23)20-14-4-7-16(8-5-14)26(24,25)21-18-12-15(6-9-17(18)19)22-10-2-3-11-22/h4-9,12,21H,2-3,10-11H2,1H3,(H,20,23)
InChIKeyVPTPWESCXAOTQG-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.70
Rot. Bonds5

About N-[4-[(2-chloro-5-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]acetamide

N-[4-[(2-chloro-5-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 110361959) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-[4-[(2-chloro-5-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-chloro-5-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID110361959
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-[4-[(2-chloro-5-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(N3CCCC3)ccc2Cl)cc1
InChIInChI=1S/C18H20ClN3O3S/c1-13(23)20-14-4-7-16(8-5-14)26(24,25)21-18-12-15(6-9-17(18)19)22-10-2-3-11-22/h4-9,12,21H,2-3,10-11H2,1H3,(H,20,23)
InChIKeyVPTPWESCXAOTQG-UHFFFAOYSA-N
XLogP3.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169373284
N-(2-chloro-5-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 110361942
N-(2-chloro-5-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
CID 110361952
4-acetyl-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 110361895
N-(2-chloro-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362791
4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 110361741
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide
CID 7376470
4-acetyl-N-(2-methoxy-5-piperidin-1-ylphenyl)benzenesulfonamide
CID 110359732
N-(2-chloro-5-piperidin-1-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110362322
N-[4-[(4-amino-3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 8538672
N'-(2,5-dichlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987617
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100503088

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-5-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2-chloro-5-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]acetamide (CID 110361959) is N-[4-[(2-chloro-5-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-chloro-5-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-chloro-5-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(N3CCCC3)ccc2Cl)cc1.
What is the InChIKey of N-[4-[(2-chloro-5-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is VPTPWESCXAOTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-13(23)20-14-4-7-16(8-5-14)26(24,25)21-18-12-15(6-9-17(18)19)22-10-2-3-11-22/h4-9,12,21H,2-3,10-11H2,1H3,(H,20,23).
What are the key properties of N-[4-[(2-chloro-5-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]acetamide?
N-[4-[(2-chloro-5-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 393.90 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloro-5-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 110361959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).