N-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

C17H18Cl2N2O3S — CID 44993166

IUPACN-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-11(2)21(3)25(23,24)16-6-4-12(5-7-16)17(22)20-15-9-13(18)8-14(19)10-15/h4-11H,1-3H3,(H,20,22)
InChIKeyRTRSFFJAHJRVKP-UHFFFAOYSA-N
MW401.32 g/mol
LogP4.27
Rot. Bonds5

About N-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

N-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 44993166) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID44993166
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC NameN-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-11(2)21(3)25(23,24)16-6-4-12(5-7-16)17(22)20-15-9-13(18)8-14(19)10-15/h4-11H,1-3H3,(H,20,22)
InChIKeyRTRSFFJAHJRVKP-UHFFFAOYSA-N
XLogP4.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 8759609
N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297168
N-(2-chlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363696
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33314975
4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide
CID 23825383
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363704
4-[methyl(propan-2-yl)sulfamoyl]-N-pyridin-3-ylbenzamide
CID 33314267
N-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55551658
N-(1,3-dioxoisoindol-5-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993145
4-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134036658
3-iodo-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 26747065
N-(2-methyl-4-propan-2-yloxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55888323

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 44993166) is N-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is RTRSFFJAHJRVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-11(2)21(3)25(23,24)16-6-4-12(5-7-16)17(22)20-15-9-13(18)8-14(19)10-15/h4-11H,1-3H3,(H,20,22).
What are the key properties of N-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 401.32 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 44993166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).