N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide

C25H25Cl2N3O4S — CID 44565414

IUPACN,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide
SMILESO=C(CCC(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C25H25Cl2N3O4S/c26-21-12-11-20(15-22(21)27)35(33,34)30-23(25(32)29-17-19-9-5-2-6-10-19)13-14-24(31)28-16-18-7-3-1-4-8-18/h1-12,15,23,30H,13-14,16-17H2,(H,28,31)(H,29,32)
InChIKeyUEOJTDKWVNWAHF-UHFFFAOYSA-N
MW534.47 g/mol
LogP4.05
Rot. Bonds11

About N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide

N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide (PubChem CID 44565414) has the molecular formula C25H25Cl2N3O4S and a molecular weight of 534.47 g/mol. Its IUPAC name is N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide.

Molecular Properties

Compound NameN,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide
PubChem CID44565414
Molecular FormulaC25H25Cl2N3O4S
Molecular Weight534.47 g/mol
Exact Mass533.09
IUPAC NameN,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide
SMILESO=C(CCC(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C25H25Cl2N3O4S/c26-21-12-11-20(15-22(21)27)35(33,34)30-23(25(32)29-17-19-9-5-2-6-10-19)13-14-24(31)28-16-18-7-3-1-4-8-18/h1-12,15,23,30H,13-14,16-17H2,(H,28,31)(H,29,32)
InChIKeyUEOJTDKWVNWAHF-UHFFFAOYSA-N
XLogP4.05
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.47
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3219603
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CID 3885050
CID 3885050
CID 4233551
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CID 4299261
CID 4299261
CID 4885365
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CID 17585797
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CID 24747475
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CID 76321971
CID 76321971
CID 1084852
CID 1084852

Frequently Asked Questions

What is the IUPAC name of N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide?
The IUPAC name of N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide (CID 44565414) is N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide.
What is the SMILES notation for N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide?
The canonical SMILES for N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide is O=C(CCC(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccc1)NCc1ccccc1.
What is the InChIKey of N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide?
The InChIKey is UEOJTDKWVNWAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3O4S/c26-21-12-11-20(15-22(21)27)35(33,34)30-23(25(32)29-17-19-9-5-2-6-10-19)13-14-24(31)28-16-18-7-3-1-4-8-18/h1-12,15,23,30H,13-14,16-17H2,(H,28,31)(H,29,32).
What are the key properties of N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide?
N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide has a molecular weight of 534.47 g/mol, XLogP of 4.05, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide is sourced from PubChem (CID 44565414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).