3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide

C17H18Cl2N2O3S — CID 8759609

IUPAC3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-11(2)21(3)25(23,24)14-7-5-13(6-8-14)20-17(22)12-4-9-15(18)16(19)10-12/h4-11H,1-3H3,(H,20,22)
InChIKeyHDJSNOWAEZPZNQ-UHFFFAOYSA-N
MW401.32 g/mol
LogP4.27
Rot. Bonds5

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

3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide (PubChem CID 8759609) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
PubChem CID8759609
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC Name3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-11(2)21(3)25(23,24)14-7-5-13(6-8-14)20-17(22)12-4-9-15(18)16(19)10-12/h4-11H,1-3H3,(H,20,22)
InChIKeyHDJSNOWAEZPZNQ-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

N-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993166
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33314975
3-iodo-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 26747065
N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297168
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993217
N-(2-chlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363696
2-chloro-5-[methyl(propan-2-yl)sulfamoyl]-N-[4-(triazol-2-yl)phenyl]benzamide
CID 78885098
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-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride
CID 63195185
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55710749

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide (CID 8759609) is 3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide is CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide?
The InChIKey is HDJSNOWAEZPZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-11(2)21(3)25(23,24)14-7-5-13(6-8-14)20-17(22)12-4-9-15(18)16(19)10-12/h4-11H,1-3H3,(H,20,22).
What are the key properties of 3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide?
3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]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 3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 8759609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).