N-[(2-chlorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylbenzamide

C18H20ClNO3S — CID 39914084

IUPACN-[(2-chlorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccccc1C(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C18H20ClNO3S/c1-13(2)24(22,23)17-11-7-5-9-15(17)18(21)20(3)12-14-8-4-6-10-16(14)19/h4-11,13H,12H2,1-3H3
InChIKeyBBGALYLMAYBVOC-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.79
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylbenzamide

N-[(2-chlorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylbenzamide (PubChem CID 39914084) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylbenzamide
PubChem CID39914084
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylbenzamide
SMILESCC(C)S(=O)(=O)c1ccccc1C(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C18H20ClNO3S/c1-13(2)24(22,23)17-11-7-5-9-15(17)18(21)20(3)12-14-8-4-6-10-16(14)19/h4-11,13H,12H2,1-3H3
InChIKeyBBGALYLMAYBVOC-UHFFFAOYSA-N
XLogP3.79
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylbenzamide (CID 39914084) is N-[(2-chlorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylbenzamide is CC(C)S(=O)(=O)c1ccccc1C(=O)N(C)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylbenzamide?
The InChIKey is BBGALYLMAYBVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-13(2)24(22,23)17-11-7-5-9-15(17)18(21)20(3)12-14-8-4-6-10-16(14)19/h4-11,13H,12H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylbenzamide?
N-[(2-chlorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylbenzamide has a molecular weight of 365.88 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methyl-2-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 39914084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).