4-chloro-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide

C12H17ClN2O3S — CID 100786469

IUPAC4-chloro-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C12H17ClN2O3S/c1-8(2)14-12(16)9-5-6-10(13)11(7-9)15(3)19(4,17)18/h5-8H,1-4H3,(H,14,16)
InChIKeySWWBZKLEADCGGM-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.87
Rot. Bonds4

About 4-chloro-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide

4-chloro-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide (PubChem CID 100786469) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 4-chloro-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
PubChem CID100786469
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name4-chloro-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C12H17ClN2O3S/c1-8(2)14-12(16)9-5-6-10(13)11(7-9)15(3)19(4,17)18/h5-8H,1-4H3,(H,14,16)
InChIKeySWWBZKLEADCGGM-UHFFFAOYSA-N
XLogP1.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-[methyl(methylsulfonyl)amino]-N-(3-propan-2-yloxypropyl)benzamide
CID 100786729
4-chloro-N-(4-iodophenyl)-3-[methyl(methylsulfonyl)amino]benzamide
CID 100786584
4-chloro-N-(2,6-dimethylphenyl)-3-[methyl(methylsulfonyl)amino]benzamide
CID 100786544
4-chloro-3-(dimethylsulfamoyl)-N-propan-2-ylbenzamide
CID 34234138
2-(dimethylamino)-5-(propan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368415
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 100786498
4-chloro-N-[2-methyl-5-(methylsulfamoyl)phenyl]-3-[methyl(methylsulfonyl)amino]benzamide
CID 100786432
2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
CID 51335107
methyl 4-chloro-3-[methylsulfonyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]benzoate
CID 113145668
2-chloro-5-(propan-2-ylcarbamoyl)benzenesulfinic acid
CID 118965941
4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 4806697
4-chloro-N-propan-2-ylbenzamide
CID 24045

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide (CID 100786469) is 4-chloro-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1.
What is the InChIKey of 4-chloro-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide?
The InChIKey is SWWBZKLEADCGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-8(2)14-12(16)9-5-6-10(13)11(7-9)15(3)19(4,17)18/h5-8H,1-4H3,(H,14,16).
What are the key properties of 4-chloro-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide?
4-chloro-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide has a molecular weight of 304.80 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 100786469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).