[(2-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2-methylpropanoate

C15H20ClNO6S — CID 53241187

IUPAC[(2-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2-methylpropanoate
SMILESCC(C)C(=O)ON(C(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C15H20ClNO6S/c1-10(2)13(18)23-17(14(19)22-15(3,4)5)24(20,21)12-9-7-6-8-11(12)16/h6-10H,1-5H3
InChIKeyRNZRZFJMZSYWDI-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.38
Rot. Bonds3

About [(2-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2-methylpropanoate

[(2-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2-methylpropanoate (PubChem CID 53241187) has the molecular formula C15H20ClNO6S and a molecular weight of 377.85 g/mol. Its IUPAC name is [(2-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2-methylpropanoate.

Molecular Properties

Compound Name[(2-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2-methylpropanoate
PubChem CID53241187
Molecular FormulaC15H20ClNO6S
Molecular Weight377.85 g/mol
Exact Mass377.07
IUPAC Name[(2-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2-methylpropanoate
SMILESCC(C)C(=O)ON(C(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C15H20ClNO6S/c1-10(2)13(18)23-17(14(19)22-15(3,4)5)24(20,21)12-9-7-6-8-11(12)16/h6-10H,1-5H3
InChIKeyRNZRZFJMZSYWDI-UHFFFAOYSA-N
XLogP3.38
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2,2-dimethylpropanoate
CID 53241185
[(2-methylpropan-2-yl)oxycarbonyl-pyridin-3-ylsulfonylamino] 2-methylpropanoate
CID 53241381
[(2-bromophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] benzoate
CID 53241382
tert-butyl N-benzoyl-N-propan-2-ylcarbamate
CID 122205870
[(2-methylpropan-2-yl)oxycarbonyl-(2-methylsulfonylphenyl)sulfonylamino] piperazine-1-carboxylate
CID 87312161
[(2-methylpropan-2-yl)oxycarbonyl-(2-methylsulfonylphenyl)sulfonylamino] 4-carbamoylpiperidine-1-carboxylate
CID 87312260
2-chloro-N-(difluoromethyl)-N-methylbenzenesulfonamide
CID 21284138
tert-butyl (2S)-2-amino-3-(2-chlorophenyl)propanoate
CID 54222459
tert-butyl N-[(2-chlorophenyl)sulfonylamino]carbamate
CID 8500976
benzyl (2R)-2-[chlorosulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 168920145
N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzenesulfonamide
CID 104556414
[(2-methylpropan-2-yl)oxycarbonyl-pyridin-3-ylsulfonylamino] 2,2-dimethylpropanoate
CID 53241380

Frequently Asked Questions

What is the IUPAC name of [(2-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2-methylpropanoate?
The IUPAC name of [(2-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2-methylpropanoate (CID 53241187) is [(2-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2-methylpropanoate.
What is the SMILES notation for [(2-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2-methylpropanoate?
The canonical SMILES for [(2-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2-methylpropanoate is CC(C)C(=O)ON(C(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of [(2-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2-methylpropanoate?
The InChIKey is RNZRZFJMZSYWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO6S/c1-10(2)13(18)23-17(14(19)22-15(3,4)5)24(20,21)12-9-7-6-8-11(12)16/h6-10H,1-5H3.
What are the key properties of [(2-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2-methylpropanoate?
[(2-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2-methylpropanoate has a molecular weight of 377.85 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2-methylpropanoate is sourced from PubChem (CID 53241187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).