2,5-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide

C17H16Cl2N2O3S — CID 39667551

IUPAC2,5-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
SMILESO=C1CCCN1c1cccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O3S/c18-13-6-7-15(19)16(10-13)25(23,24)20-11-12-3-1-4-14(9-12)21-8-2-5-17(21)22/h1,3-4,6-7,9-10,20H,2,5,8,11H2
InChIKeyPRYVOHIZGBNHBC-UHFFFAOYSA-N
MW399.30 g/mol
LogP3.60
Rot. Bonds5

About 2,5-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide

2,5-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 39667551) has the molecular formula C17H16Cl2N2O3S and a molecular weight of 399.30 g/mol. Its IUPAC name is 2,5-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
PubChem CID39667551
Molecular FormulaC17H16Cl2N2O3S
Molecular Weight399.30 g/mol
Exact Mass398.03
IUPAC Name2,5-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
SMILESO=C1CCCN1c1cccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O3S/c18-13-6-7-15(19)16(10-13)25(23,24)20-11-12-3-1-4-14(9-12)21-8-2-5-17(21)22/h1,3-4,6-7,9-10,20H,2,5,8,11H2
InChIKeyPRYVOHIZGBNHBC-UHFFFAOYSA-N
XLogP3.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2,5-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 94638093
1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one
CID 88577305
4-nitro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 39667571
2-chloro-4-fluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 35393983
N-[5-[[3-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 100576928
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841870
3,6-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 39516427
1-[3-[[(5-chloro-3-fluoro-2-hydroxyphenyl)methylamino]methyl]phenyl]pyrrolidin-2-one
CID 139017347
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
1-[3-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 99632936
N-[(4-aminophenyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 43604538

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide (CID 39667551) is 2,5-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide is O=C1CCCN1c1cccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 2,5-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is PRYVOHIZGBNHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3S/c18-13-6-7-15(19)16(10-13)25(23,24)20-11-12-3-1-4-14(9-12)21-8-2-5-17(21)22/h1,3-4,6-7,9-10,20H,2,5,8,11H2.
What are the key properties of 2,5-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide?
2,5-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 399.30 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 39667551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).