2-chloro-5-[4-chloro-3-[[4-(diethylamino)phenyl]sulfamoyl]phenyl]sulfonyl-N-[4-(diethylamino)phenyl]benzenesulfonamide

C32H36Cl2N4O6S3 — CID 3935169

IUPAC2-chloro-5-[4-chloro-3-[[4-(diethylamino)phenyl]sulfamoyl]phenyl]sulfonyl-N-[4-(diethylamino)phenyl]benzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2cc(S(=O)(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccc(N(CC)CC)cc4)c3)ccc2Cl)cc1
InChIInChI=1S/C32H36Cl2N4O6S3/c1-5-37(6-2)25-13-9-23(10-14-25)35-46(41,42)31-21-27(17-19-29(31)33)45(39,40)28-18-20-30(34)32(22-28)47(43,44)36-24-11-15-26(16-12-24)38(7-3)8-4/h9-22,35-36H,5-8H2,1-4H3
InChIKeyIZXVTVVJIKYRGA-UHFFFAOYSA-N
MW739.77 g/mol
LogP7.12
Rot. Bonds14

About 2-chloro-5-[4-chloro-3-[[4-(diethylamino)phenyl]sulfamoyl]phenyl]sulfonyl-N-[4-(diethylamino)phenyl]benzenesulfonamide

2-chloro-5-[4-chloro-3-[[4-(diethylamino)phenyl]sulfamoyl]phenyl]sulfonyl-N-[4-(diethylamino)phenyl]benzenesulfonamide (PubChem CID 3935169) has the molecular formula C32H36Cl2N4O6S3 and a molecular weight of 739.77 g/mol. Its IUPAC name is 2-chloro-5-[4-chloro-3-[[4-(diethylamino)phenyl]sulfamoyl]phenyl]sulfonyl-N-[4-(diethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[4-chloro-3-[[4-(diethylamino)phenyl]sulfamoyl]phenyl]sulfonyl-N-[4-(diethylamino)phenyl]benzenesulfonamide
PubChem CID3935169
Molecular FormulaC32H36Cl2N4O6S3
Molecular Weight739.77 g/mol
Exact Mass738.12
IUPAC Name2-chloro-5-[4-chloro-3-[[4-(diethylamino)phenyl]sulfamoyl]phenyl]sulfonyl-N-[4-(diethylamino)phenyl]benzenesulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2cc(S(=O)(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccc(N(CC)CC)cc4)c3)ccc2Cl)cc1
InChIInChI=1S/C32H36Cl2N4O6S3/c1-5-37(6-2)25-13-9-23(10-14-25)35-46(41,42)31-21-27(17-19-29(31)33)45(39,40)28-18-20-30(34)32(22-28)47(43,44)36-24-11-15-26(16-12-24)38(7-3)8-4/h9-22,35-36H,5-8H2,1-4H3
InChIKeyIZXVTVVJIKYRGA-UHFFFAOYSA-N
XLogP7.12
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.77
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3830236
4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide
CID 3810600
3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3839904
N-[4-(diethylamino)phenyl]-2,5-difluorobenzenesulfonamide
CID 9234931
N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide
CID 3377300
N-[4-(butylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 2190292
N-[4-(diethylamino)phenyl]-3,4-diethoxybenzenesulfonamide
CID 9030499
3-[[4-(diethylamino)phenyl]sulfamoyl]-4,5-dimethylbenzoate
CID 9234909
N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 1089389
N-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 2947983
4-chloro-N-[4-(diethylsulfamoyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 4551872
2,4,5-trichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 22774991

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-chloro-3-[[4-(diethylamino)phenyl]sulfamoyl]phenyl]sulfonyl-N-[4-(diethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-[4-chloro-3-[[4-(diethylamino)phenyl]sulfamoyl]phenyl]sulfonyl-N-[4-(diethylamino)phenyl]benzenesulfonamide (CID 3935169) is 2-chloro-5-[4-chloro-3-[[4-(diethylamino)phenyl]sulfamoyl]phenyl]sulfonyl-N-[4-(diethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[4-chloro-3-[[4-(diethylamino)phenyl]sulfamoyl]phenyl]sulfonyl-N-[4-(diethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[4-chloro-3-[[4-(diethylamino)phenyl]sulfamoyl]phenyl]sulfonyl-N-[4-(diethylamino)phenyl]benzenesulfonamide is CCN(CC)c1ccc(NS(=O)(=O)c2cc(S(=O)(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccc(N(CC)CC)cc4)c3)ccc2Cl)cc1.
What is the InChIKey of 2-chloro-5-[4-chloro-3-[[4-(diethylamino)phenyl]sulfamoyl]phenyl]sulfonyl-N-[4-(diethylamino)phenyl]benzenesulfonamide?
The InChIKey is IZXVTVVJIKYRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36Cl2N4O6S3/c1-5-37(6-2)25-13-9-23(10-14-25)35-46(41,42)31-21-27(17-19-29(31)33)45(39,40)28-18-20-30(34)32(22-28)47(43,44)36-24-11-15-26(16-12-24)38(7-3)8-4/h9-22,35-36H,5-8H2,1-4H3.
What are the key properties of 2-chloro-5-[4-chloro-3-[[4-(diethylamino)phenyl]sulfamoyl]phenyl]sulfonyl-N-[4-(diethylamino)phenyl]benzenesulfonamide?
2-chloro-5-[4-chloro-3-[[4-(diethylamino)phenyl]sulfamoyl]phenyl]sulfonyl-N-[4-(diethylamino)phenyl]benzenesulfonamide has a molecular weight of 739.77 g/mol, XLogP of 7.12, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-chloro-3-[[4-(diethylamino)phenyl]sulfamoyl]phenyl]sulfonyl-N-[4-(diethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 3935169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).