methyl N-[4-(pentafluoro-λ6-sulfanyl)benzoyl]carbamate

C9H8F5NO3S — CID 145425286

IUPACmethyl N-[4-(pentafluoro-λ6-sulfanyl)benzoyl]carbamate
SMILESCOC(=O)NC(=O)c1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C9H8F5NO3S/c1-18-9(17)15-8(16)6-2-4-7(5-3-6)19(10,11,12,13)14/h2-5H,1H3,(H,15,16,17)
InChIKeyNRDZADSSXDJEME-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.84
Rot. Bonds2

About methyl N-[4-(pentafluoro-λ6-sulfanyl)benzoyl]carbamate

methyl N-[4-(pentafluoro-λ6-sulfanyl)benzoyl]carbamate (PubChem CID 145425286) has the molecular formula C9H8F5NO3S and a molecular weight of 305.22 g/mol. Its IUPAC name is methyl N-[4-(pentafluoro-λ6-sulfanyl)benzoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(pentafluoro-λ6-sulfanyl)benzoyl]carbamate
PubChem CID145425286
Molecular FormulaC9H8F5NO3S
Molecular Weight305.22 g/mol
Exact Mass305.01
IUPAC Namemethyl N-[4-(pentafluoro-λ6-sulfanyl)benzoyl]carbamate
SMILESCOC(=O)NC(=O)c1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C9H8F5NO3S/c1-18-9(17)15-8(16)6-2-4-7(5-3-6)19(10,11,12,13)14/h2-5H,1H3,(H,15,16,17)
InChIKeyNRDZADSSXDJEME-UHFFFAOYSA-N
XLogP3.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-[4-(pentafluoro-λ6-sulfanyl)benzoyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-(4-methoxybenzoyl)carbamate
CID 10420604
tert-butyl N-(4-methoxybenzoyl)carbamate
CID 14221825
methyl 4-[(4-methylbenzoyl)carbamoyl]benzoate
CID 175211628
1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate
CID 158994697
methyl N-[(4-bromobenzoyl)amino]carbamate
CID 54790998
methyl 4-(chlorocarbamoyl)benzoate
CID 87175338
(2-benzamido-2-oxoethyl) 3-fluoro-4-methoxybenzoate
CID 8702579
methyl N-(N-methoxy-C-phenylcarbonimidoyl)carbamate
CID 135526711
methyl 3-benzamido-3-oxopropanoate
CID 11345054
methyl N-[(Z)-N-methoxy-C-phenylcarbonimidoyl]carbamate
CID 135740500
phenyl N-benzoylcarbamate
CID 66560330
(4-methylbenzoyl)carbamic acid
CID 89120559

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(pentafluoro-λ6-sulfanyl)benzoyl]carbamate?
The IUPAC name of methyl N-[4-(pentafluoro-λ6-sulfanyl)benzoyl]carbamate (CID 145425286) is methyl N-[4-(pentafluoro-λ6-sulfanyl)benzoyl]carbamate.
What is the SMILES notation for methyl N-[4-(pentafluoro-λ6-sulfanyl)benzoyl]carbamate?
The canonical SMILES for methyl N-[4-(pentafluoro-λ6-sulfanyl)benzoyl]carbamate is COC(=O)NC(=O)c1ccc(S(F)(F)(F)(F)F)cc1.
What is the InChIKey of methyl N-[4-(pentafluoro-λ6-sulfanyl)benzoyl]carbamate?
The InChIKey is NRDZADSSXDJEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO3S/c1-18-9(17)15-8(16)6-2-4-7(5-3-6)19(10,11,12,13)14/h2-5H,1H3,(H,15,16,17).
What are the key properties of methyl N-[4-(pentafluoro-λ6-sulfanyl)benzoyl]carbamate?
methyl N-[4-(pentafluoro-λ6-sulfanyl)benzoyl]carbamate has a molecular weight of 305.22 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(pentafluoro-λ6-sulfanyl)benzoyl]carbamate is sourced from PubChem (CID 145425286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).