N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide

C16H25NO4S — CID 3739924

IUPACN-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCCCCC2)cc1OC
InChIInChI=1S/C16H25NO4S/c1-20-15-10-9-14(11-16(15)21-2)22(18,19)17-12-13-7-5-3-4-6-8-13/h9-11,13,17H,3-8,12H2,1-2H3
InChIKeyLJLRQSXNYSZNCW-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.95
Rot. Bonds6

About N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide

N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 3739924) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
PubChem CID3739924
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC NameN-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC2CCCCCC2)cc1OC
InChIInChI=1S/C16H25NO4S/c1-20-15-10-9-14(11-16(15)21-2)22(18,19)17-12-13-7-5-3-4-6-8-13/h9-11,13,17H,3-8,12H2,1-2H3
InChIKeyLJLRQSXNYSZNCW-UHFFFAOYSA-N
XLogP2.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887427
3,4-dimethoxy-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203510
4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601
N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 142023630
2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 136590042
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide
CID 100566408
N-(cyclobutylmethyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzenesulfonamide
CID 60824012
2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 172697362
4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110736435
methyl 5-(cyclohexylmethylsulfamoyl)-2-methylbenzoate
CID 100566433
N-(cyclohexylmethyl)-4-ethylbenzenesulfonamide
CID 3776153

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide (CID 3739924) is N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC2CCCCCC2)cc1OC.
What is the InChIKey of N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is LJLRQSXNYSZNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-20-15-10-9-14(11-16(15)21-2)22(18,19)17-12-13-7-5-3-4-6-8-13/h9-11,13,17H,3-8,12H2,1-2H3.
What are the key properties of N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide?
N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 327.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 3739924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).