benzyl N-(4-methoxyphenyl)sulfonylcarbamate

C15H15NO5S — CID 122231425

IUPACbenzyl N-(4-methoxyphenyl)sulfonylcarbamate
SMILESCOc1ccc(S(=O)(=O)NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C15H15NO5S/c1-20-13-7-9-14(10-8-13)22(18,19)16-15(17)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,16,17)
InChIKeySCFJMDHZFDUJPD-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.31
Rot. Bonds5

About benzyl N-(4-methoxyphenyl)sulfonylcarbamate

benzyl N-(4-methoxyphenyl)sulfonylcarbamate (PubChem CID 122231425) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is benzyl N-(4-methoxyphenyl)sulfonylcarbamate.

Molecular Properties

Compound Namebenzyl N-(4-methoxyphenyl)sulfonylcarbamate
PubChem CID122231425
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Namebenzyl N-(4-methoxyphenyl)sulfonylcarbamate
SMILESCOc1ccc(S(=O)(=O)NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C15H15NO5S/c1-20-13-7-9-14(10-8-13)22(18,19)16-15(17)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,16,17)
InChIKeySCFJMDHZFDUJPD-UHFFFAOYSA-N
XLogP2.31
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 67966725
CID 67966725
butyl N-(4-methoxyphenyl)sulfonylcarbamate
CID 132577582
benzyl 2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]acetate
CID 24643715
benzyl 4-amino-2-[(4-methoxyphenyl)sulfonylamino]-3,3-dimethyl-4-oxo-2-propan-2-ylbutanoate
CID 70094571
(2S)-3-benzyl-4-[(4-methoxyphenyl)sulfonylamino]-4-oxo-2-(phenylmethoxyamino)butanoic acid
CID 140988677
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 2496939
2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-phenylmethoxybutanamide
CID 57196287
N-(benzenesulfonyl)-2-(3-methoxyphenyl)acetamide
CID 139754173

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-methoxyphenyl)sulfonylcarbamate?
The IUPAC name of benzyl N-(4-methoxyphenyl)sulfonylcarbamate (CID 122231425) is benzyl N-(4-methoxyphenyl)sulfonylcarbamate.
What is the SMILES notation for benzyl N-(4-methoxyphenyl)sulfonylcarbamate?
The canonical SMILES for benzyl N-(4-methoxyphenyl)sulfonylcarbamate is COc1ccc(S(=O)(=O)NC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-(4-methoxyphenyl)sulfonylcarbamate?
The InChIKey is SCFJMDHZFDUJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-20-13-7-9-14(10-8-13)22(18,19)16-15(17)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,16,17).
What are the key properties of benzyl N-(4-methoxyphenyl)sulfonylcarbamate?
benzyl N-(4-methoxyphenyl)sulfonylcarbamate has a molecular weight of 321.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-methoxyphenyl)sulfonylcarbamate is sourced from PubChem (CID 122231425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).