N-benzyl-1-cyclohexa-1,5-dien-1-ylmethanesulfonamide

C14H17NO2S — CID 143113229

IUPACN-benzyl-1-cyclohexa-1,5-dien-1-ylmethanesulfonamide
SMILESO=S(=O)(CC1=CCCC=C1)NCc1ccccc1
InChIInChI=1S/C14H17NO2S/c16-18(17,12-14-9-5-2-6-10-14)15-11-13-7-3-1-4-8-13/h1,3-5,7-10,15H,2,6,11-12H2
InChIKeyQCXOVJHNSULMDX-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.38
Rot. Bonds5

About N-benzyl-1-cyclohexa-1,5-dien-1-ylmethanesulfonamide

N-benzyl-1-cyclohexa-1,5-dien-1-ylmethanesulfonamide (PubChem CID 143113229) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-benzyl-1-cyclohexa-1,5-dien-1-ylmethanesulfonamide.

Molecular Properties

Compound NameN-benzyl-1-cyclohexa-1,5-dien-1-ylmethanesulfonamide
PubChem CID143113229
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC NameN-benzyl-1-cyclohexa-1,5-dien-1-ylmethanesulfonamide
SMILESO=S(=O)(CC1=CCCC=C1)NCc1ccccc1
InChIInChI=1S/C14H17NO2S/c16-18(17,12-14-9-5-2-6-10-14)15-11-13-7-3-1-4-8-13/h1,3-5,7-10,15H,2,6,11-12H2
InChIKeyQCXOVJHNSULMDX-UHFFFAOYSA-N
XLogP2.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(1R)-N-benzyl-1-cyclohexa-1,5-dien-1-ylethanamine
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3-[(benzylamino)methyl]-5-[(cyclohexa-1,5-dien-1-ylmethylamino)methyl]benzenecarbothioamide
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CID 70601747
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sodium N-benzylsulfamate
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benzylsulfamic acid;ethane
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N,N-dibenzylcyclohexa-1,5-dien-1-amine
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N-benzyl-4-chlorobutane-1-sulfonamide
CID 116814854
N-benzylpiperidine-1-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-cyclohexa-1,5-dien-1-ylmethanesulfonamide?
The IUPAC name of N-benzyl-1-cyclohexa-1,5-dien-1-ylmethanesulfonamide (CID 143113229) is N-benzyl-1-cyclohexa-1,5-dien-1-ylmethanesulfonamide.
What is the SMILES notation for N-benzyl-1-cyclohexa-1,5-dien-1-ylmethanesulfonamide?
The canonical SMILES for N-benzyl-1-cyclohexa-1,5-dien-1-ylmethanesulfonamide is O=S(=O)(CC1=CCCC=C1)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-cyclohexa-1,5-dien-1-ylmethanesulfonamide?
The InChIKey is QCXOVJHNSULMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c16-18(17,12-14-9-5-2-6-10-14)15-11-13-7-3-1-4-8-13/h1,3-5,7-10,15H,2,6,11-12H2.
What are the key properties of N-benzyl-1-cyclohexa-1,5-dien-1-ylmethanesulfonamide?
N-benzyl-1-cyclohexa-1,5-dien-1-ylmethanesulfonamide has a molecular weight of 263.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-cyclohexa-1,5-dien-1-ylmethanesulfonamide is sourced from PubChem (CID 143113229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).