N-(6-aminohexyl)-N-chloronaphthalene-1-sulfonamide

C16H21ClN2O2S — CID 139649368

IUPACN-(6-aminohexyl)-N-chloronaphthalene-1-sulfonamide
SMILESNCCCCCCN(Cl)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H21ClN2O2S/c17-19(13-6-2-1-5-12-18)22(20,21)16-11-7-9-14-8-3-4-10-15(14)16/h3-4,7-11H,1-2,5-6,12-13,18H2
InChIKeyQRVNTRISQNLBAP-UHFFFAOYSA-N
MW340.88 g/mol
LogP3.50
Rot. Bonds8

About N-(6-aminohexyl)-N-chloronaphthalene-1-sulfonamide

N-(6-aminohexyl)-N-chloronaphthalene-1-sulfonamide (PubChem CID 139649368) has the molecular formula C16H21ClN2O2S and a molecular weight of 340.88 g/mol. Its IUPAC name is N-(6-aminohexyl)-N-chloronaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-N-chloronaphthalene-1-sulfonamide
PubChem CID139649368
Molecular FormulaC16H21ClN2O2S
Molecular Weight340.88 g/mol
Exact Mass340.10
IUPAC NameN-(6-aminohexyl)-N-chloronaphthalene-1-sulfonamide
SMILESNCCCCCCN(Cl)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H21ClN2O2S/c17-19(13-6-2-1-5-12-18)22(20,21)16-11-7-9-14-8-3-4-10-15(14)16/h3-4,7-11H,1-2,5-6,12-13,18H2
InChIKeyQRVNTRISQNLBAP-UHFFFAOYSA-N
XLogP3.50
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-N-methylnaphthalene-1-sulfonamide
CID 115752504
N-(2-aminoethyl)-N-methylnaphthalene-1-sulfonamide;hydrochloride
CID 174226998
N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride
CID 50987005
N-(4-aminobutyl)-N-hexylisoquinoline-5-sulfonamide
CID 14326788
N-(2-aminoethyl)-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide
CID 107493804
2-naphthalen-1-ylsulfonylethanamine
CID 116853448
N-propan-2-ylnaphthalene-1-sulfonohydrazide
CID 141255188
N-butyl-N-(2-chloroethyl)naphthalene-1-sulfonamide
CID 114795610
N-(3-aminopropyl)-N-hexylisoquinoline-5-sulfonamide
CID 14326787
N-methyl-N-propan-2-ylnaphthalene-1-sulfonamide
CID 21131549
N-(4-aminobutyl)-N-(2-phenylsulfanylethyl)isoquinoline-5-sulfonamide
CID 71376942
1-(trichloromethylsulfonyl)naphthalene
CID 139626793

Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-N-chloronaphthalene-1-sulfonamide?
The IUPAC name of N-(6-aminohexyl)-N-chloronaphthalene-1-sulfonamide (CID 139649368) is N-(6-aminohexyl)-N-chloronaphthalene-1-sulfonamide.
What is the SMILES notation for N-(6-aminohexyl)-N-chloronaphthalene-1-sulfonamide?
The canonical SMILES for N-(6-aminohexyl)-N-chloronaphthalene-1-sulfonamide is NCCCCCCN(Cl)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(6-aminohexyl)-N-chloronaphthalene-1-sulfonamide?
The InChIKey is QRVNTRISQNLBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2S/c17-19(13-6-2-1-5-12-18)22(20,21)16-11-7-9-14-8-3-4-10-15(14)16/h3-4,7-11H,1-2,5-6,12-13,18H2.
What are the key properties of N-(6-aminohexyl)-N-chloronaphthalene-1-sulfonamide?
N-(6-aminohexyl)-N-chloronaphthalene-1-sulfonamide has a molecular weight of 340.88 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-N-chloronaphthalene-1-sulfonamide is sourced from PubChem (CID 139649368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).