N-(cycloheptylmethyl)-4-methylbenzenesulfonamide

C15H23NO2S — CID 134942537

IUPACN-(cycloheptylmethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCCCCC2)cc1
InChIInChI=1S/C15H23NO2S/c1-13-8-10-15(11-9-13)19(17,18)16-12-14-6-4-2-3-5-7-14/h8-11,14,16H,2-7,12H2,1H3
InChIKeyYIWOPDVXKBEACU-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.24
Rot. Bonds4

About N-(cycloheptylmethyl)-4-methylbenzenesulfonamide

N-(cycloheptylmethyl)-4-methylbenzenesulfonamide (PubChem CID 134942537) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(cycloheptylmethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cycloheptylmethyl)-4-methylbenzenesulfonamide
PubChem CID134942537
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(cycloheptylmethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCCCCC2)cc1
InChIInChI=1S/C15H23NO2S/c1-13-8-10-15(11-9-13)19(17,18)16-12-14-6-4-2-3-5-7-14/h8-11,14,16H,2-7,12H2,1H3
InChIKeyYIWOPDVXKBEACU-UHFFFAOYSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-4-ethylbenzenesulfonamide
CID 3776153
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
CID 71213352
4-methyl-N-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methyl]benzenesulfonamide
CID 998279
4-(cyclohexylmethylsulfamoyl)benzoic acid
CID 18524305
N-(cyclohexylmethyl)-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 6733441
4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide
CID 43298854
4-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563394
2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 136590042
4-N-cyclohexyl-1-N-(cyclopropylmethyl)-4-N-methylbenzene-1,4-disulfonamide
CID 1448139
N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 3739924
4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide
CID 106919131
N-[(4-methoxycyclohex-3-en-1-yl)methyl]-4-methylbenzenesulfonamide
CID 53231494

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(cycloheptylmethyl)-4-methylbenzenesulfonamide (CID 134942537) is N-(cycloheptylmethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(cycloheptylmethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(cycloheptylmethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2CCCCCC2)cc1.
What is the InChIKey of N-(cycloheptylmethyl)-4-methylbenzenesulfonamide?
The InChIKey is YIWOPDVXKBEACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-13-8-10-15(11-9-13)19(17,18)16-12-14-6-4-2-3-5-7-14/h8-11,14,16H,2-7,12H2,1H3.
What are the key properties of N-(cycloheptylmethyl)-4-methylbenzenesulfonamide?
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide has a molecular weight of 281.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 134942537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).