N-butan-2-yl-2,4-dichloro-3-methylbenzenesulfonamide

C11H15Cl2NO2S — CID 45100351

IUPACN-butan-2-yl-2,4-dichloro-3-methylbenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(Cl)c(C)c1Cl
InChIInChI=1S/C11H15Cl2NO2S/c1-4-7(2)14-17(15,16)10-6-5-9(12)8(3)11(10)13/h5-7,14H,4H2,1-3H3
InChIKeyDHKVYEAJGBSVKA-UHFFFAOYSA-N
MW296.22 g/mol
LogP3.38
Rot. Bonds4

About N-butan-2-yl-2,4-dichloro-3-methylbenzenesulfonamide

N-butan-2-yl-2,4-dichloro-3-methylbenzenesulfonamide (PubChem CID 45100351) has the molecular formula C11H15Cl2NO2S and a molecular weight of 296.22 g/mol. Its IUPAC name is N-butan-2-yl-2,4-dichloro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-2,4-dichloro-3-methylbenzenesulfonamide
PubChem CID45100351
Molecular FormulaC11H15Cl2NO2S
Molecular Weight296.22 g/mol
Exact Mass295.02
IUPAC NameN-butan-2-yl-2,4-dichloro-3-methylbenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(Cl)c(C)c1Cl
InChIInChI=1S/C11H15Cl2NO2S/c1-4-7(2)14-17(15,16)10-6-5-9(12)8(3)11(10)13/h5-7,14H,4H2,1-3H3
InChIKeyDHKVYEAJGBSVKA-UHFFFAOYSA-N
XLogP3.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-chloro-4-methylbenzenesulfonamide
CID 47142063
2,4-dichloro-N,3-dimethylbenzenesulfonamide
CID 50876498
4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
CID 42997510
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
2,3,4-trichloro-N-propan-2-ylbenzenesulfonamide
CID 19782295
ethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 40844974
2,6-dichloro-3-(pentan-3-ylsulfamoyl)benzoic acid
CID 29030781
N-[(2R)-1-aminopropan-2-yl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120712872
N-[4-(butan-2-ylsulfamoyl)phenyl]-2,5-dichlorobenzenesulfonamide
CID 2947983
N-butan-2-yl-4-chloro-2-nitrobenzenesulfonamide
CID 42949762
2,4-dichloro-N-(1-ethylsulfanylpropan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
CID 106083183
N-[(2R)-butan-2-yl]-3-butoxy-4-chlorobenzenesulfonamide
CID 42065850

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,4-dichloro-3-methylbenzenesulfonamide?
The IUPAC name of N-butan-2-yl-2,4-dichloro-3-methylbenzenesulfonamide (CID 45100351) is N-butan-2-yl-2,4-dichloro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-2,4-dichloro-3-methylbenzenesulfonamide?
The canonical SMILES for N-butan-2-yl-2,4-dichloro-3-methylbenzenesulfonamide is CCC(C)NS(=O)(=O)c1ccc(Cl)c(C)c1Cl.
What is the InChIKey of N-butan-2-yl-2,4-dichloro-3-methylbenzenesulfonamide?
The InChIKey is DHKVYEAJGBSVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2S/c1-4-7(2)14-17(15,16)10-6-5-9(12)8(3)11(10)13/h5-7,14H,4H2,1-3H3.
What are the key properties of N-butan-2-yl-2,4-dichloro-3-methylbenzenesulfonamide?
N-butan-2-yl-2,4-dichloro-3-methylbenzenesulfonamide has a molecular weight of 296.22 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,4-dichloro-3-methylbenzenesulfonamide is sourced from PubChem (CID 45100351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).