4-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide

C21H18ClFN2O3S — CID 1107776

IUPAC4-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C21H18ClFN2O3S/c1-29(27,28)25(14-15-5-3-2-4-6-15)18-10-7-16(8-11-18)21(26)24-17-9-12-20(23)19(22)13-17/h2-13H,14H2,1H3,(H,24,26)
InChIKeyDLGSVCWRMHGDMM-UHFFFAOYSA-N
MW432.90 g/mol
LogP4.70
Rot. Bonds6

About 4-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide

4-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide (PubChem CID 1107776) has the molecular formula C21H18ClFN2O3S and a molecular weight of 432.90 g/mol. Its IUPAC name is 4-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide
PubChem CID1107776
Molecular FormulaC21H18ClFN2O3S
Molecular Weight432.90 g/mol
Exact Mass432.07
IUPAC Name4-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C21H18ClFN2O3S/c1-29(27,28)25(14-15-5-3-2-4-6-15)18-10-7-16(8-11-18)21(26)24-17-9-12-20(23)19(22)13-17/h2-13H,14H2,1H3,(H,24,26)
InChIKeyDLGSVCWRMHGDMM-UHFFFAOYSA-N
XLogP4.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.90
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide?
The IUPAC name of 4-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide (CID 1107776) is 4-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide.
What is the SMILES notation for 4-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide?
The canonical SMILES for 4-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide is CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 4-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide?
The InChIKey is DLGSVCWRMHGDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3S/c1-29(27,28)25(14-15-5-3-2-4-6-15)18-10-7-16(8-11-18)21(26)24-17-9-12-20(23)19(22)13-17/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 4-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide?
4-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide has a molecular weight of 432.90 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide is sourced from PubChem (CID 1107776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).