N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide

C13H12Cl2N2O4S2 — CID 1290637

IUPACN-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C13H12Cl2N2O4S2/c1-22(18,19)16-11-2-4-13(5-3-11)23(20,21)17-12-7-9(14)6-10(15)8-12/h2-8,16-17H,1H3
InChIKeyDHNUWCAALJFMHE-UHFFFAOYSA-N
MW395.29 g/mol
LogP3.17
Rot. Bonds5

About N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide

N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide (PubChem CID 1290637) has the molecular formula C13H12Cl2N2O4S2 and a molecular weight of 395.29 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
PubChem CID1290637
Molecular FormulaC13H12Cl2N2O4S2
Molecular Weight395.29 g/mol
Exact Mass393.96
IUPAC NameN-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C13H12Cl2N2O4S2/c1-22(18,19)16-11-2-4-13(5-3-11)23(20,21)17-12-7-9(14)6-10(15)8-12/h2-8,16-17H,1H3
InChIKeyDHNUWCAALJFMHE-UHFFFAOYSA-N
XLogP3.17
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 54422593
methyl 4-[(3,5-dichlorophenyl)sulfamoyl]benzoate
CID 24509913
4-butan-2-yl-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 22773538
N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide
CID 3702957
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 2467720
3,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzenesulfonamide
CID 8603698
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22203236
3,5-dichloro-N-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 175722864
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 3742158
N-(3,5-dichlorophenyl)-4-(2,2-dicyanoethenylamino)benzenesulfonamide
CID 168543235

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide (CID 1290637) is N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide is CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide?
The InChIKey is DHNUWCAALJFMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O4S2/c1-22(18,19)16-11-2-4-13(5-3-11)23(20,21)17-12-7-9(14)6-10(15)8-12/h2-8,16-17H,1H3.
What are the key properties of N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide?
N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide has a molecular weight of 395.29 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide is sourced from PubChem (CID 1290637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).