2-chloro-N-[2-(dimethylamino)-1-phenylethyl]-5-methylsulfonylbenzamide

C18H21ClN2O3S — CID 78819751

IUPAC2-chloro-N-[2-(dimethylamino)-1-phenylethyl]-5-methylsulfonylbenzamide
SMILESCN(C)CC(NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1
InChIInChI=1S/C18H21ClN2O3S/c1-21(2)12-17(13-7-5-4-6-8-13)20-18(22)15-11-14(25(3,23)24)9-10-16(15)19/h4-11,17H,12H2,1-3H3,(H,20,22)
InChIKeyGUUWXEHQWPOWCD-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.78
Rot. Bonds6

About 2-chloro-N-[2-(dimethylamino)-1-phenylethyl]-5-methylsulfonylbenzamide

2-chloro-N-[2-(dimethylamino)-1-phenylethyl]-5-methylsulfonylbenzamide (PubChem CID 78819751) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)-1-phenylethyl]-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)-1-phenylethyl]-5-methylsulfonylbenzamide
PubChem CID78819751
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name2-chloro-N-[2-(dimethylamino)-1-phenylethyl]-5-methylsulfonylbenzamide
SMILESCN(C)CC(NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1
InChIInChI=1S/C18H21ClN2O3S/c1-21(2)12-17(13-7-5-4-6-8-13)20-18(22)15-11-14(25(3,23)24)9-10-16(15)19/h4-11,17H,12H2,1-3H3,(H,20,22)
InChIKeyGUUWXEHQWPOWCD-UHFFFAOYSA-N
XLogP2.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-methyl-1-phenylbutyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55371507
2-chloro-N-[2-(dimethylamino)-1-phenylethyl]furan-3-carboxamide
CID 106686543
2-chloro-N-[(1S)-3-hydroxy-1-phenylpropyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 97017563
4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936052
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-(dimethylsulfamoyl)benzamide
CID 8936839
N-[2-(dimethylamino)-1-phenylethyl]-2,3-dimethylbenzamide
CID 78819640
N-benzhydryl-2-methyl-5-methylsulfonylbenzamide
CID 27254371
5-(azepan-1-ylsulfonyl)-2-chloro-N-[(1R)-1-phenylpropyl]benzamide
CID 94028099
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 24528764
3-[(4-chlorophenyl)sulfonylamino]-N-[(1S)-2-(dimethylamino)-1-phenylethyl]propanamide
CID 8937587
2-chloro-N-[(1R)-3-methyl-1-phenylbutyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 92681418
2-chloro-N-[(1R)-3-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41134747

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)-1-phenylethyl]-5-methylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)-1-phenylethyl]-5-methylsulfonylbenzamide (CID 78819751) is 2-chloro-N-[2-(dimethylamino)-1-phenylethyl]-5-methylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)-1-phenylethyl]-5-methylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)-1-phenylethyl]-5-methylsulfonylbenzamide is CN(C)CC(NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)-1-phenylethyl]-5-methylsulfonylbenzamide?
The InChIKey is GUUWXEHQWPOWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-21(2)12-17(13-7-5-4-6-8-13)20-18(22)15-11-14(25(3,23)24)9-10-16(15)19/h4-11,17H,12H2,1-3H3,(H,20,22).
What are the key properties of 2-chloro-N-[2-(dimethylamino)-1-phenylethyl]-5-methylsulfonylbenzamide?
2-chloro-N-[2-(dimethylamino)-1-phenylethyl]-5-methylsulfonylbenzamide has a molecular weight of 380.90 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)-1-phenylethyl]-5-methylsulfonylbenzamide is sourced from PubChem (CID 78819751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).