N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2,6-dichlorobenzamide

C21H26Cl2N2O3S — CID 17311636

IUPACN-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2,6-dichlorobenzamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C21H26Cl2N2O3S/c1-14(2)12-25(13-15(3)4)29(27,28)17-10-8-16(9-11-17)24-21(26)20-18(22)6-5-7-19(20)23/h5-11,14-15H,12-13H2,1-4H3,(H,24,26)
InChIKeyYRPVUJUUNXAERN-UHFFFAOYSA-N
MW457.42 g/mol
LogP5.55
Rot. Bonds8

About N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2,6-dichlorobenzamide

N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2,6-dichlorobenzamide (PubChem CID 17311636) has the molecular formula C21H26Cl2N2O3S and a molecular weight of 457.42 g/mol. Its IUPAC name is N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2,6-dichlorobenzamide
PubChem CID17311636
Molecular FormulaC21H26Cl2N2O3S
Molecular Weight457.42 g/mol
Exact Mass456.10
IUPAC NameN-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2,6-dichlorobenzamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C21H26Cl2N2O3S/c1-14(2)12-25(13-15(3)4)29(27,28)17-10-8-16(9-11-17)24-21(26)20-18(22)6-5-7-19(20)23/h5-11,14-15H,12-13H2,1-4H3,(H,24,26)
InChIKeyYRPVUJUUNXAERN-UHFFFAOYSA-N
XLogP5.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.42
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 17311380
(2S)-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 40932274
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide
CID 17311776
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide
CID 17312368
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 71464436
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 18590086
ethyl 2-[4-[bis(2-methylpropyl)sulfamoyl]anilino]-2-oxoacetate
CID 17311755
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296
3-benzylsulfonyl-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]propanamide
CID 17312270
2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid
CID 13059785
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 2147322
2-(2,6-dichlorophenyl)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 7760312

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2,6-dichlorobenzamide?
The IUPAC name of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2,6-dichlorobenzamide (CID 17311636) is N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2,6-dichlorobenzamide is CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2,6-dichlorobenzamide?
The InChIKey is YRPVUJUUNXAERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N2O3S/c1-14(2)12-25(13-15(3)4)29(27,28)17-10-8-16(9-11-17)24-21(26)20-18(22)6-5-7-19(20)23/h5-11,14-15H,12-13H2,1-4H3,(H,24,26).
What are the key properties of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2,6-dichlorobenzamide?
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2,6-dichlorobenzamide has a molecular weight of 457.42 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2,6-dichlorobenzamide is sourced from PubChem (CID 17311636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).