2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2-hydroxyethyl)acetamide

C17H19ClN2O4S — CID 2300342

IUPAC2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2-hydroxyethyl)acetamide
SMILESO=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCCO
InChIInChI=1S/C17H19ClN2O4S/c18-15-8-6-14(7-9-15)12-20(13-17(22)19-10-11-21)25(23,24)16-4-2-1-3-5-16/h1-9,21H,10-13H2,(H,19,22)
InChIKeyOVFRIMWNMLEONJ-UHFFFAOYSA-N
MW382.87 g/mol
LogP1.64
Rot. Bonds8

About 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2-hydroxyethyl)acetamide

2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2-hydroxyethyl)acetamide (PubChem CID 2300342) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2-hydroxyethyl)acetamide
PubChem CID2300342
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2-hydroxyethyl)acetamide
SMILESO=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCCO
InChIInChI=1S/C17H19ClN2O4S/c18-15-8-6-14(7-9-15)12-20(13-17(22)19-10-11-21)25(23,24)16-4-2-1-3-5-16/h1-9,21H,10-13H2,(H,19,22)
InChIKeyOVFRIMWNMLEONJ-UHFFFAOYSA-N
XLogP1.64
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3-methylbutyl)acetamide
CID 21380315
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(3,5-dichlorophenyl)acetamide
CID 126010858
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 3926551
N-(2-hydroxyethyl)-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126012468
2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide
CID 2681375
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(3-ethoxypropyl)acetamide
CID 21380398
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-propylacetamide
CID 126099656
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide
CID 2283551
2-[[2-[benzyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]-N-tert-butylacetamide
CID 24550332
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(2-methoxyethyl)acetamide
CID 2292710
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 126066389
2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 2545354

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2-hydroxyethyl)acetamide (CID 2300342) is 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2-hydroxyethyl)acetamide is O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCCO.
What is the InChIKey of 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2-hydroxyethyl)acetamide?
The InChIKey is OVFRIMWNMLEONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c18-15-8-6-14(7-9-15)12-20(13-17(22)19-10-11-21)25(23,24)16-4-2-1-3-5-16/h1-9,21H,10-13H2,(H,19,22).
What are the key properties of 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2-hydroxyethyl)acetamide?
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2-hydroxyethyl)acetamide has a molecular weight of 382.87 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 2300342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).