N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetamide

C13H19ClN2O4S — CID 112994958

IUPACN-tert-butyl-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C13H19ClN2O4S/c1-13(2,3)16-12(17)8-15-21(18,19)11-7-9(14)5-6-10(11)20-4/h5-7,15H,8H2,1-4H3,(H,16,17)
InChIKeyYXEUFVUZEXZKLL-UHFFFAOYSA-N
MW334.83 g/mol
LogP1.54
Rot. Bonds5

About N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetamide

N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetamide (PubChem CID 112994958) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetamide
PubChem CID112994958
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC NameN-tert-butyl-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C13H19ClN2O4S/c1-13(2,3)16-12(17)8-15-21(18,19)11-7-9(14)5-6-10(11)20-4/h5-7,15H,8H2,1-4H3,(H,16,17)
InChIKeyYXEUFVUZEXZKLL-UHFFFAOYSA-N
XLogP1.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 110287793
propan-2-yl 2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetate
CID 3853421
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991399
5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716555
CID 70601990
CID 70601990
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 3716409
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
CID 8801649
5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methoxybenzenesulfonamide
CID 6736491
trans-(1S,2R)-2-[[(5-chloro-2-methoxyphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 108781400

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetamide (CID 112994958) is N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetamide is COc1ccc(Cl)cc1S(=O)(=O)NCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetamide?
The InChIKey is YXEUFVUZEXZKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4S/c1-13(2,3)16-12(17)8-15-21(18,19)11-7-9(14)5-6-10(11)20-4/h5-7,15H,8H2,1-4H3,(H,16,17).
What are the key properties of N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetamide?
N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetamide has a molecular weight of 334.83 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 112994958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).