N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]benzamide

C23H20Cl3N3O5S2 — CID 4149482

IUPACN-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C23H20Cl3N3O5S2/c24-15-7-9-19(26)22(13-15)35(31,32)28-20-6-2-1-5-17(20)23(30)27-21-14-16(8-10-18(21)25)36(33,34)29-11-3-4-12-29/h1-2,5-10,13-14,28H,3-4,11-12H2,(H,27,30)
InChIKeyQUEXNCMXCNGORY-UHFFFAOYSA-N
MW588.92 g/mol
LogP5.48
Rot. Bonds7

About N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]benzamide

N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]benzamide (PubChem CID 4149482) has the molecular formula C23H20Cl3N3O5S2 and a molecular weight of 588.92 g/mol. Its IUPAC name is N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]benzamide
PubChem CID4149482
Molecular FormulaC23H20Cl3N3O5S2
Molecular Weight588.92 g/mol
Exact Mass586.99
IUPAC NameN-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C23H20Cl3N3O5S2/c24-15-7-9-19(26)22(13-15)35(31,32)28-20-6-2-1-5-17(20)23(30)27-21-14-16(8-10-18(21)25)36(33,34)29-11-3-4-12-29/h1-2,5-10,13-14,28H,3-4,11-12H2,(H,27,30)
InChIKeyQUEXNCMXCNGORY-UHFFFAOYSA-N
XLogP5.48
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.92
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 4190352
2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride
CID 15945362
2-(benzenesulfonamido)-N-(2,4-dichlorophenyl)benzamide
CID 155547933
2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2337095
2-chloro-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26727587
2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid
CID 10205135
2,3-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 18108806
2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3387472
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4651643
N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 4206577
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
CID 2336918
N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 43882515

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]benzamide (CID 4149482) is N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]benzamide is O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]benzamide?
The InChIKey is QUEXNCMXCNGORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl3N3O5S2/c24-15-7-9-19(26)22(13-15)35(31,32)28-20-6-2-1-5-17(20)23(30)27-21-14-16(8-10-18(21)25)36(33,34)29-11-3-4-12-29/h1-2,5-10,13-14,28H,3-4,11-12H2,(H,27,30).
What are the key properties of N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]benzamide?
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]benzamide has a molecular weight of 588.92 g/mol, XLogP of 5.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 4149482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).