N-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide

C16H18Cl2N2O4S2 — CID 2947983

IUPACN-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H18Cl2N2O4S2/c1-3-11(2)19-25(21,22)14-7-5-13(6-8-14)20-26(23,24)16-10-12(17)4-9-15(16)18/h4-11,19-20H,3H2,1-2H3
InChIKeyIVZMMXOVGZTLSF-UHFFFAOYSA-N
MW437.37 g/mol
LogP3.87
Rot. Bonds7

About N-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide

N-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide (PubChem CID 2947983) has the molecular formula C16H18Cl2N2O4S2 and a molecular weight of 437.37 g/mol. Its IUPAC name is N-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide
PubChem CID2947983
Molecular FormulaC16H18Cl2N2O4S2
Molecular Weight437.37 g/mol
Exact Mass436.01
IUPAC NameN-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C16H18Cl2N2O4S2/c1-3-11(2)19-25(21,22)14-7-5-13(6-8-14)20-26(23,24)16-10-12(17)4-9-15(16)18/h4-11,19-20H,3H2,1-2H3
InChIKeyIVZMMXOVGZTLSF-UHFFFAOYSA-N
XLogP3.87
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
N-[4-(butylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 2190292
2,5-dichloro-N-pentan-2-ylbenzenesulfonamide
CID 2886118
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 788817
2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 989106
1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea
CID 17160150
4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
CID 776763
3-[[(2R)-butan-2-yl]amino]-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 25418065
3-[[(2S)-butan-2-yl]amino]-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 25418070
N-[4-(butan-2-ylamino)phenyl]-3,4-dichlorobenzenesulfonamide
CID 112980530
2,5-dichloro-N-[(2S)-1-methoxypropan-2-yl]benzenesulfonamide
CID 670298
N-butan-2-yl-4-chloro-2-nitrobenzenesulfonamide
CID 42949762

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide?
The IUPAC name of N-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide (CID 2947983) is N-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for N-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide is CCC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide?
The InChIKey is IVZMMXOVGZTLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O4S2/c1-3-11(2)19-25(21,22)14-7-5-13(6-8-14)20-26(23,24)16-10-12(17)4-9-15(16)18/h4-11,19-20H,3H2,1-2H3.
What are the key properties of N-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide?
N-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide has a molecular weight of 437.37 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 2947983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).