N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)pentanamide

C12H16Cl2N2O3S — CID 43246587

IUPACN-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)pentanamide
SMILESCCCCC(=O)Nc1c(Cl)cc(S(N)(=O)=O)c(C)c1Cl
InChIInChI=1S/C12H16Cl2N2O3S/c1-3-4-5-10(17)16-12-8(13)6-9(20(15,18)19)7(2)11(12)14/h6H,3-5H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyYXFYTPDVRYXHLA-UHFFFAOYSA-N
MW339.24 g/mol
LogP3.08
Rot. Bonds5

About N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)pentanamide

N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)pentanamide (PubChem CID 43246587) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)pentanamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)pentanamide
PubChem CID43246587
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC NameN-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)pentanamide
SMILESCCCCC(=O)Nc1c(Cl)cc(S(N)(=O)=O)c(C)c1Cl
InChIInChI=1S/C12H16Cl2N2O3S/c1-3-4-5-10(17)16-12-8(13)6-9(20(15,18)19)7(2)11(12)14/h6H,3-5H2,1-2H3,(H,16,17)(H2,15,18,19)
InChIKeyYXFYTPDVRYXHLA-UHFFFAOYSA-N
XLogP3.08
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)-3,3-dimethylbutanamide
CID 43246574
N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)thiadiazole-4-carboxamide
CID 65216272
N-(2-chloro-4-sulfamoylphenyl)pentanamide
CID 43134096
N-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide
CID 101068763
N-(3-chloro-4,5-diethyl-2-methylphenyl)pentanamide
CID 140616425
(2E)-2-[[3-(butanoylamino)-2,4,6-trichlorophenyl]methylidene]hexanoic acid
CID 88840150
3,5-dimethyl-4-(pentanoylamino)benzenesulfonyl chloride
CID 18070783
N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
CID 100965559
3,5-diethyl-4-(pentanoylamino)benzenesulfonyl chloride
CID 43103561
3-amino-N-(2,3-dichloro-4,6-disulfamoylphenyl)propanamide
CID 10834283
N-(4-amino-2,6-dichlorophenyl)-3-propylsulfonylpropanamide
CID 43444834
N-(5-fluoro-2-sulfamoylphenyl)hexanamide
CID 61131111

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)pentanamide?
The IUPAC name of N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)pentanamide (CID 43246587) is N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)pentanamide.
What is the SMILES notation for N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)pentanamide?
The canonical SMILES for N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)pentanamide is CCCCC(=O)Nc1c(Cl)cc(S(N)(=O)=O)c(C)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)pentanamide?
The InChIKey is YXFYTPDVRYXHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c1-3-4-5-10(17)16-12-8(13)6-9(20(15,18)19)7(2)11(12)14/h6H,3-5H2,1-2H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)pentanamide?
N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)pentanamide has a molecular weight of 339.24 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)pentanamide is sourced from PubChem (CID 43246587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).