N-[(4-methoxycyclohex-3-en-1-yl)methyl]-4-methylbenzenesulfonamide

C15H21NO3S — CID 53231494

IUPACN-[(4-methoxycyclohex-3-en-1-yl)methyl]-4-methylbenzenesulfonamide
SMILESCOC1=CCC(CNS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C15H21NO3S/c1-12-3-9-15(10-4-12)20(17,18)16-11-13-5-7-14(19-2)8-6-13/h3-4,7,9-10,13,16H,5-6,8,11H2,1-2H3
InChIKeySJVNSSKNQPPXNG-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.60
Rot. Bonds5

About N-[(4-methoxycyclohex-3-en-1-yl)methyl]-4-methylbenzenesulfonamide

N-[(4-methoxycyclohex-3-en-1-yl)methyl]-4-methylbenzenesulfonamide (PubChem CID 53231494) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[(4-methoxycyclohex-3-en-1-yl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxycyclohex-3-en-1-yl)methyl]-4-methylbenzenesulfonamide
PubChem CID53231494
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN-[(4-methoxycyclohex-3-en-1-yl)methyl]-4-methylbenzenesulfonamide
SMILESCOC1=CCC(CNS(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C15H21NO3S/c1-12-3-9-15(10-4-12)20(17,18)16-11-13-5-7-14(19-2)8-6-13/h3-4,7,9-10,13,16H,5-6,8,11H2,1-2H3
InChIKeySJVNSSKNQPPXNG-UHFFFAOYSA-N
XLogP2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
4-methyl-N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 998279
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
CID 71213352
4-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563394
4-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108130
4-methyl-N-[[(2R)-oxiran-2-yl]methyl]benzenesulfonamide
CID 10398836
4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 47190253
N-[(4-methylphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 4156842
N-(cyclopropylmethyl)-4-iodobenzenesulfonamide
CID 22273555
4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride
CID 18072907
4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919759
4-[[(4-methylphenyl)sulfonylamino]methyl]-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 5323340

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxycyclohex-3-en-1-yl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(4-methoxycyclohex-3-en-1-yl)methyl]-4-methylbenzenesulfonamide (CID 53231494) is N-[(4-methoxycyclohex-3-en-1-yl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4-methoxycyclohex-3-en-1-yl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(4-methoxycyclohex-3-en-1-yl)methyl]-4-methylbenzenesulfonamide is COC1=CCC(CNS(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-[(4-methoxycyclohex-3-en-1-yl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is SJVNSSKNQPPXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-12-3-9-15(10-4-12)20(17,18)16-11-13-5-7-14(19-2)8-6-13/h3-4,7,9-10,13,16H,5-6,8,11H2,1-2H3.
What are the key properties of N-[(4-methoxycyclohex-3-en-1-yl)methyl]-4-methylbenzenesulfonamide?
N-[(4-methoxycyclohex-3-en-1-yl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 295.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxycyclohex-3-en-1-yl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 53231494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).