3,4-dichloro-N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide

C17H16Cl2N2O3S — CID 113094370

IUPAC3,4-dichloro-N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCS(=O)(=O)N(c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CC1
InChIInChI=1S/C17H16Cl2N2O3S/c1-25(23,24)21(14-7-8-14)13-5-3-12(4-6-13)20-17(22)11-2-9-15(18)16(19)10-11/h2-6,9-10,14H,7-8H2,1H3,(H,20,22)
InChIKeyZAZRROCYHWXSJJ-UHFFFAOYSA-N
MW399.30 g/mol
LogP4.17
Rot. Bonds5

About 3,4-dichloro-N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide

3,4-dichloro-N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide (PubChem CID 113094370) has the molecular formula C17H16Cl2N2O3S and a molecular weight of 399.30 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide
PubChem CID113094370
Molecular FormulaC17H16Cl2N2O3S
Molecular Weight399.30 g/mol
Exact Mass398.03
IUPAC Name3,4-dichloro-N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCS(=O)(=O)N(c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CC1
InChIInChI=1S/C17H16Cl2N2O3S/c1-25(23,24)21(14-7-8-14)13-5-3-12(4-6-13)20-17(22)11-2-9-15(18)16(19)10-11/h2-6,9-10,14H,7-8H2,1H3,(H,20,22)
InChIKeyZAZRROCYHWXSJJ-UHFFFAOYSA-N
XLogP4.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide
CID 113094359
N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]benzamide
CID 113094445
N-[4-[methylsulfonyl(oxan-4-yl)amino]phenyl]acetamide
CID 113094432
N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide
CID 112984878
4-chloro-N-[4-(dimethylamino)phenyl]-3-methylsulfonylbenzamide
CID 78776424
3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 8759609
N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide
CID 21211970
N-(4-acetamidophenyl)-4-chloro-3-(methanesulfonamido)benzamide
CID 49013931
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
3,4-dichloro-N-[4-(methylaminomethyl)phenyl]benzamide
CID 71019742
N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide
CID 113094075
4-chloro-N-(4-iodophenyl)-3-[methyl(methylsulfonyl)amino]benzamide
CID 100786584

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide (CID 113094370) is 3,4-dichloro-N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide is CS(=O)(=O)N(c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CC1.
What is the InChIKey of 3,4-dichloro-N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide?
The InChIKey is ZAZRROCYHWXSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3S/c1-25(23,24)21(14-7-8-14)13-5-3-12(4-6-13)20-17(22)11-2-9-15(18)16(19)10-11/h2-6,9-10,14H,7-8H2,1H3,(H,20,22).
What are the key properties of 3,4-dichloro-N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide?
3,4-dichloro-N-[4-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide has a molecular weight of 399.30 g/mol, XLogP of 4.17, 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-[cyclopropyl(methylsulfonyl)amino]phenyl]benzamide is sourced from PubChem (CID 113094370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).