N-(1-cyanocycloheptyl)-3,4-dihydronaphthalene-2-sulfonamide

C18H22N2O2S — CID 75458356

IUPACN-(1-cyanocycloheptyl)-3,4-dihydronaphthalene-2-sulfonamide
SMILESN#CC1(NS(=O)(=O)C2=Cc3ccccc3CC2)CCCCCC1
InChIInChI=1S/C18H22N2O2S/c19-14-18(11-5-1-2-6-12-18)20-23(21,22)17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-8,13,20H,1-2,5-6,9-12H2
InChIKeyTZWLDGKSMXDNRC-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.51
Rot. Bonds3

About N-(1-cyanocycloheptyl)-3,4-dihydronaphthalene-2-sulfonamide

N-(1-cyanocycloheptyl)-3,4-dihydronaphthalene-2-sulfonamide (PubChem CID 75458356) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-3,4-dihydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-3,4-dihydronaphthalene-2-sulfonamide
PubChem CID75458356
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-(1-cyanocycloheptyl)-3,4-dihydronaphthalene-2-sulfonamide
SMILESN#CC1(NS(=O)(=O)C2=Cc3ccccc3CC2)CCCCCC1
InChIInChI=1S/C18H22N2O2S/c19-14-18(11-5-1-2-6-12-18)20-23(21,22)17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-8,13,20H,1-2,5-6,9-12H2
InChIKeyTZWLDGKSMXDNRC-UHFFFAOYSA-N
XLogP3.51
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-3,4-dihydronaphthalene-2-sulfonamide?
The IUPAC name of N-(1-cyanocycloheptyl)-3,4-dihydronaphthalene-2-sulfonamide (CID 75458356) is N-(1-cyanocycloheptyl)-3,4-dihydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-3,4-dihydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-3,4-dihydronaphthalene-2-sulfonamide is N#CC1(NS(=O)(=O)C2=Cc3ccccc3CC2)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-3,4-dihydronaphthalene-2-sulfonamide?
The InChIKey is TZWLDGKSMXDNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c19-14-18(11-5-1-2-6-12-18)20-23(21,22)17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-8,13,20H,1-2,5-6,9-12H2.
What are the key properties of N-(1-cyanocycloheptyl)-3,4-dihydronaphthalene-2-sulfonamide?
N-(1-cyanocycloheptyl)-3,4-dihydronaphthalene-2-sulfonamide has a molecular weight of 330.45 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-3,4-dihydronaphthalene-2-sulfonamide is sourced from PubChem (CID 75458356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).