pentan-2-yl N-(3,5-dichlorophenyl)sulfonylcarbamate

C12H15Cl2NO4S — CID 70339785

IUPACpentan-2-yl N-(3,5-dichlorophenyl)sulfonylcarbamate
SMILESCCCC(C)OC(=O)NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NO4S/c1-3-4-8(2)19-12(16)15-20(17,18)11-6-9(13)5-10(14)7-11/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyVPZFQWYERDVDNB-UHFFFAOYSA-N
MW340.23 g/mol
LogP3.60
Rot. Bonds5

About pentan-2-yl N-(3,5-dichlorophenyl)sulfonylcarbamate

pentan-2-yl N-(3,5-dichlorophenyl)sulfonylcarbamate (PubChem CID 70339785) has the molecular formula C12H15Cl2NO4S and a molecular weight of 340.23 g/mol. Its IUPAC name is pentan-2-yl N-(3,5-dichlorophenyl)sulfonylcarbamate.

Molecular Properties

Compound Namepentan-2-yl N-(3,5-dichlorophenyl)sulfonylcarbamate
PubChem CID70339785
Molecular FormulaC12H15Cl2NO4S
Molecular Weight340.23 g/mol
Exact Mass339.01
IUPAC Namepentan-2-yl N-(3,5-dichlorophenyl)sulfonylcarbamate
SMILESCCCC(C)OC(=O)NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NO4S/c1-3-4-8(2)19-12(16)15-20(17,18)11-6-9(13)5-10(14)7-11/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyVPZFQWYERDVDNB-UHFFFAOYSA-N
XLogP3.60
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl N-((4-chlorophenyl)sulfonyl)carbamate
CID 26345
Carbamic acid, [(2-chlorophenyl)sulfonyl]-, ethyl ester
CID 2819408
Carbamic acid, [(2-chlorophenyl)sulfonyl]-, methyl ester
CID 4389137
Methyl (4-chlorophenyl)sulfonylcarbamate
CID 5013687
2-fluoroethyl N-(4-chlorophenyl)sulfonylcarbamate
CID 12947201
2,2,2-Trifluoroethyl (3-chlorobenzene-1-sulfonyl)carbamate
CID 12947237
2-Chloroethyl (4-chlorobenzene-1-sulfonyl)carbamate
CID 283849
butyl N-(2-chlorophenyl)sulfonylcarbamate
CID 3265442
Isopropyl (4-chlorophenyl)sulfonylcarbamate
CID 521360
ethyl N-(3,4-dichlorophenyl)sulfonylcarbamate
CID 12947248
N-boc-4-chlorobenzenesulfonamide
CID 14796817
tert-butyl N-(2-chlorophenyl)sulfonylcarbamate
CID 14982681

Frequently Asked Questions

What is the IUPAC name of pentan-2-yl N-(3,5-dichlorophenyl)sulfonylcarbamate?
The IUPAC name of pentan-2-yl N-(3,5-dichlorophenyl)sulfonylcarbamate (CID 70339785) is pentan-2-yl N-(3,5-dichlorophenyl)sulfonylcarbamate.
What is the SMILES notation for pentan-2-yl N-(3,5-dichlorophenyl)sulfonylcarbamate?
The canonical SMILES for pentan-2-yl N-(3,5-dichlorophenyl)sulfonylcarbamate is CCCC(C)OC(=O)NS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of pentan-2-yl N-(3,5-dichlorophenyl)sulfonylcarbamate?
The InChIKey is VPZFQWYERDVDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO4S/c1-3-4-8(2)19-12(16)15-20(17,18)11-6-9(13)5-10(14)7-11/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of pentan-2-yl N-(3,5-dichlorophenyl)sulfonylcarbamate?
pentan-2-yl N-(3,5-dichlorophenyl)sulfonylcarbamate has a molecular weight of 340.23 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-yl N-(3,5-dichlorophenyl)sulfonylcarbamate is sourced from PubChem (CID 70339785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).