2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-4-(2-cyanopyrrol-1-yl)pentanamide

C23H23Cl2N5O3S — CID 123799963

IUPAC2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-4-(2-cyanopyrrol-1-yl)pentanamide
SMILESCC(CC(NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)NCc1ccccc1)n1cccc1C#N
InChIInChI=1S/C23H23Cl2N5O3S/c1-15(30-9-5-8-17(30)13-26)10-21(23(31)28-14-16-6-3-2-4-7-16)29-34(32,33)18-11-19(24)22(27)20(25)12-18/h2-9,11-12,15,21,29H,10,14,27H2,1H3,(H,28,31)
InChIKeyRZXXCEZKERBDQE-UHFFFAOYSA-N
MW520.44 g/mol
LogP3.86
Rot. Bonds9

About 2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-4-(2-cyanopyrrol-1-yl)pentanamide

2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-4-(2-cyanopyrrol-1-yl)pentanamide (PubChem CID 123799963) has the molecular formula C23H23Cl2N5O3S and a molecular weight of 520.44 g/mol. Its IUPAC name is 2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-4-(2-cyanopyrrol-1-yl)pentanamide.

Molecular Properties

Compound Name2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-4-(2-cyanopyrrol-1-yl)pentanamide
PubChem CID123799963
Molecular FormulaC23H23Cl2N5O3S
Molecular Weight520.44 g/mol
Exact Mass519.09
IUPAC Name2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-4-(2-cyanopyrrol-1-yl)pentanamide
SMILESCC(CC(NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)NCc1ccccc1)n1cccc1C#N
InChIInChI=1S/C23H23Cl2N5O3S/c1-15(30-9-5-8-17(30)13-26)10-21(23(31)28-14-16-6-3-2-4-7-16)29-34(32,33)18-11-19(24)22(27)20(25)12-18/h2-9,11-12,15,21,29H,10,14,27H2,1H3,(H,28,31)
InChIKeyRZXXCEZKERBDQE-UHFFFAOYSA-N
XLogP3.86
TPSA130.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.44
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(2-cyanopyrrol-1-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]pentanamide
CID 123905485
N-[(4-bromophenyl)methyl]-2-[(2-chloro-6-methylphenyl)sulfonylamino]-4-(2-cyanopyrrol-1-yl)pentanamide
CID 123222764
2-[(2-chloro-6-methylphenyl)sulfonylamino]-4-(2-cyanopyrrol-1-yl)-N-[(3-pyrimidin-5-ylphenyl)methyl]pentanamide
CID 123558555
2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-4-(2-cyanopyrrol-1-yl)-N-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 58509254
(2S)-N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide
CID 25197369
(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 9336999
1-[2-[(2-chloro-6-methylphenyl)sulfonylamino]-4-(2-cyanopyrrol-1-yl)pentanoyl]-4-methylpiperidine-4-carboxylic acid
CID 123925995
(2S)-2-(benzenesulfonamido)-N-benzyl-4-methylsulfonylbutanamide
CID 9041162
(2R)-2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-N-methyl-4-phenylbutanamide
CID 58504877
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 43874789
4-amino-3,5-dichloro-N-[4-(2-cyanopyrrol-1-yl)-1-[4-(hydroxymethyl)piperidin-1-yl]-1-oxobutan-2-yl]benzenesulfonamide
CID 58509115
N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)propanamide
CID 114650376

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-4-(2-cyanopyrrol-1-yl)pentanamide?
The IUPAC name of 2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-4-(2-cyanopyrrol-1-yl)pentanamide (CID 123799963) is 2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-4-(2-cyanopyrrol-1-yl)pentanamide.
What is the SMILES notation for 2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-4-(2-cyanopyrrol-1-yl)pentanamide?
The canonical SMILES for 2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-4-(2-cyanopyrrol-1-yl)pentanamide is CC(CC(NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1)C(=O)NCc1ccccc1)n1cccc1C#N.
What is the InChIKey of 2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-4-(2-cyanopyrrol-1-yl)pentanamide?
The InChIKey is RZXXCEZKERBDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N5O3S/c1-15(30-9-5-8-17(30)13-26)10-21(23(31)28-14-16-6-3-2-4-7-16)29-34(32,33)18-11-19(24)22(27)20(25)12-18/h2-9,11-12,15,21,29H,10,14,27H2,1H3,(H,28,31).
What are the key properties of 2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-4-(2-cyanopyrrol-1-yl)pentanamide?
2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-4-(2-cyanopyrrol-1-yl)pentanamide has a molecular weight of 520.44 g/mol, XLogP of 3.86, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3,5-dichlorophenyl)sulfonylamino]-N-benzyl-4-(2-cyanopyrrol-1-yl)pentanamide is sourced from PubChem (CID 123799963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).