N-[1-[[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyl]pyrrolidin-3-yl]acetamide

C19H20Cl3N3O3S — CID 143400006

IUPACN-[1-[[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C19H20Cl3N3O3S/c1-12(26)23-15-6-7-25(11-15)10-13-2-3-14(20)8-19(13)24-29(27,28)16-4-5-17(21)18(22)9-16/h2-5,8-9,15,24H,6-7,10-11H2,1H3,(H,23,26)
InChIKeyIYPCGOZUTGIFDH-UHFFFAOYSA-N
MW476.81 g/mol
LogP4.16
Rot. Bonds6

About N-[1-[[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyl]pyrrolidin-3-yl]acetamide

N-[1-[[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyl]pyrrolidin-3-yl]acetamide (PubChem CID 143400006) has the molecular formula C19H20Cl3N3O3S and a molecular weight of 476.81 g/mol. Its IUPAC name is N-[1-[[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyl]pyrrolidin-3-yl]acetamide
PubChem CID143400006
Molecular FormulaC19H20Cl3N3O3S
Molecular Weight476.81 g/mol
Exact Mass475.03
IUPAC NameN-[1-[[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C19H20Cl3N3O3S/c1-12(26)23-15-6-7-25(11-15)10-13-2-3-14(20)8-19(13)24-29(27,28)16-4-5-17(21)18(22)9-16/h2-5,8-9,15,24H,6-7,10-11H2,1H3,(H,23,26)
InChIKeyIYPCGOZUTGIFDH-UHFFFAOYSA-N
XLogP4.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.81
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-carbamothioyl-2-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide
CID 102666341
[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyliminoazanium
CID 143399978
N-[(3S)-1-[(4-chloro-2-fluorophenyl)methyl]pyrrolidin-3-yl]-3,3,3-trifluoropropanamide
CID 100638288
3,4-dichloro-N-[5-chloro-2-[(1-methyltetrazol-5-yl)methyl]phenyl]benzenesulfonamide
CID 71214710
2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(1-methylpyrrolidin-3-yl)benzamide
CID 59849960
methyl 4-[(3-acetamidopyrrolidin-1-yl)methyl]-3-bromobenzoate
CID 102768089
4-[(1-benzylpyrrolidin-3-yl)sulfamoyl]-2-chlorobenzoic acid
CID 113437746
N-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-yl]acetamide
CID 107348405
N-cyclopropyl-1-[(2,4-dichlorophenyl)methyl]pyrrolidine-3-carboxamide
CID 166602867
4-[(3-acetamidopyrrolidin-1-yl)methyl]-2-fluorobenzoic acid
CID 106699396
3,4-dichloro-N-[2-(3-methylpyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 86878824
3,4-dichloro-N-[4-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]phenyl]benzenesulfonamide
CID 86877634

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyl]pyrrolidin-3-yl]acetamide (CID 143400006) is N-[1-[[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(Cc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of N-[1-[[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is IYPCGOZUTGIFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl3N3O3S/c1-12(26)23-15-6-7-25(11-15)10-13-2-3-14(20)8-19(13)24-29(27,28)16-4-5-17(21)18(22)9-16/h2-5,8-9,15,24H,6-7,10-11H2,1H3,(H,23,26).
What are the key properties of N-[1-[[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyl]pyrrolidin-3-yl]acetamide?
N-[1-[[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 476.81 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-chloro-2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 143400006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).