2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

C20H22ClN3O4S — CID 1300212

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1C(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O4S/c1-23(29(27,28)16-10-8-15(21)9-11-16)14-19(25)22-18-7-3-2-6-17(18)20(26)24-12-4-5-13-24/h2-3,6-11H,4-5,12-14H2,1H3,(H,22,25)
InChIKeyHVTFWPWOVYLPKD-UHFFFAOYSA-N
MW435.93 g/mol
LogP2.84
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 1300212) has the molecular formula C20H22ClN3O4S and a molecular weight of 435.93 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID1300212
Molecular FormulaC20H22ClN3O4S
Molecular Weight435.93 g/mol
Exact Mass435.10
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1C(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O4S/c1-23(29(27,28)16-10-8-15(21)9-11-16)14-19(25)22-18-7-3-2-6-17(18)20(26)24-12-4-5-13-24/h2-3,6-11H,4-5,12-14H2,1H3,(H,22,25)
InChIKeyHVTFWPWOVYLPKD-UHFFFAOYSA-N
XLogP2.84
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 1300212) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is CN(CC(=O)Nc1ccccc1C(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is HVTFWPWOVYLPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4S/c1-23(29(27,28)16-10-8-15(21)9-11-16)14-19(25)22-18-7-3-2-6-17(18)20(26)24-12-4-5-13-24/h2-3,6-11H,4-5,12-14H2,1H3,(H,22,25).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 435.93 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 1300212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).