3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide

C14H14ClFN2O4S2 — CID 8603687

IUPAC3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C14H14ClFN2O4S2/c1-18(2)24(21,22)11-5-3-10(4-6-11)17-23(19,20)12-7-8-14(16)13(15)9-12/h3-9,17H,1-2H3
InChIKeyNEPFTRJORHQWQX-UHFFFAOYSA-N
MW392.86 g/mol
LogP2.53
Rot. Bonds5

About 3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide

3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide (PubChem CID 8603687) has the molecular formula C14H14ClFN2O4S2 and a molecular weight of 392.86 g/mol. Its IUPAC name is 3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide
PubChem CID8603687
Molecular FormulaC14H14ClFN2O4S2
Molecular Weight392.86 g/mol
Exact Mass392.01
IUPAC Name3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C14H14ClFN2O4S2/c1-18(2)24(21,22)11-5-3-10(4-6-11)17-23(19,20)12-7-8-14(16)13(15)9-12/h3-9,17H,1-2H3
InChIKeyNEPFTRJORHQWQX-UHFFFAOYSA-N
XLogP2.53
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 697776
3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide
CID 8603698
3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 3742158
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
3-chloro-N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 889995
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 24636547
N-[4-(dimethylsulfamoyl)phenyl]naphthalene-2-sulfonamide
CID 2098625
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 119041012
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629266
2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43875173
ethyl (E)-3-[4-[(3-chloro-4-fluorophenyl)sulfonylamino]phenyl]prop-2-enoate
CID 35940805
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide (CID 8603687) is 3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is NEPFTRJORHQWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O4S2/c1-18(2)24(21,22)11-5-3-10(4-6-11)17-23(19,20)12-7-8-14(16)13(15)9-12/h3-9,17H,1-2H3.
What are the key properties of 3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide?
3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 392.86 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 8603687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).