3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethyl-4-methoxybenzenesulfonamide

C17H20ClFN2O5S2 — CID 3763909

IUPAC3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethyl-4-methoxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H20ClFN2O5S2/c1-4-21(5-2)28(24,25)13-7-9-17(26-3)16(11-13)20-27(22,23)12-6-8-15(19)14(18)10-12/h6-11,20H,4-5H2,1-3H3
InChIKeyFXCAZNIQGBTQHD-UHFFFAOYSA-N
MW450.94 g/mol
LogP3.32
Rot. Bonds8

About 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethyl-4-methoxybenzenesulfonamide

3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethyl-4-methoxybenzenesulfonamide (PubChem CID 3763909) has the molecular formula C17H20ClFN2O5S2 and a molecular weight of 450.94 g/mol. Its IUPAC name is 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethyl-4-methoxybenzenesulfonamide
PubChem CID3763909
Molecular FormulaC17H20ClFN2O5S2
Molecular Weight450.94 g/mol
Exact Mass450.05
IUPAC Name3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethyl-4-methoxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H20ClFN2O5S2/c1-4-21(5-2)28(24,25)13-7-9-17(26-3)16(11-13)20-27(22,23)12-6-8-15(19)14(18)10-12/h6-11,20H,4-5H2,1-3H3
InChIKeyFXCAZNIQGBTQHD-UHFFFAOYSA-N
XLogP3.32
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.94
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzenesulfonamide
CID 3735954
2,3-dichloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzenesulfonamide
CID 4319845
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
N,N-diethyl-4-methoxy-3-[(3-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2952239
N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide
CID 35582178
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607
N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide
CID 9172723
methyl 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-4,5-dimethoxybenzoate
CID 8603632
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272
N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109274
N-[5-[[5-(diethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 24580932
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethyl-4-methoxybenzenesulfonamide?
The IUPAC name of 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethyl-4-methoxybenzenesulfonamide (CID 3763909) is 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethyl-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethyl-4-methoxybenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethyl-4-methoxybenzenesulfonamide?
The InChIKey is FXCAZNIQGBTQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2O5S2/c1-4-21(5-2)28(24,25)13-7-9-17(26-3)16(11-13)20-27(22,23)12-6-8-15(19)14(18)10-12/h6-11,20H,4-5H2,1-3H3.
What are the key properties of 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethyl-4-methoxybenzenesulfonamide?
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethyl-4-methoxybenzenesulfonamide has a molecular weight of 450.94 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-diethyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 3763909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).