5-chloro-N-(6-pyrrolidin-1-ylhexyl)naphthalene-1-sulfonamide

C20H27ClN2O2S — CID 56955991

IUPAC5-chloro-N-(6-pyrrolidin-1-ylhexyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NCCCCCCN1CCCC1)c1cccc2c(Cl)cccc12
InChIInChI=1S/C20H27ClN2O2S/c21-19-11-7-10-18-17(19)9-8-12-20(18)26(24,25)22-13-3-1-2-4-14-23-15-5-6-16-23/h7-12,22H,1-6,13-16H2
InChIKeyJFIZQLDPTUFSSO-UHFFFAOYSA-N
MW394.97 g/mol
LogP4.43
Rot. Bonds9

About 5-chloro-N-(6-pyrrolidin-1-ylhexyl)naphthalene-1-sulfonamide

5-chloro-N-(6-pyrrolidin-1-ylhexyl)naphthalene-1-sulfonamide (PubChem CID 56955991) has the molecular formula C20H27ClN2O2S and a molecular weight of 394.97 g/mol. Its IUPAC name is 5-chloro-N-(6-pyrrolidin-1-ylhexyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(6-pyrrolidin-1-ylhexyl)naphthalene-1-sulfonamide
PubChem CID56955991
Molecular FormulaC20H27ClN2O2S
Molecular Weight394.97 g/mol
Exact Mass394.15
IUPAC Name5-chloro-N-(6-pyrrolidin-1-ylhexyl)naphthalene-1-sulfonamide
SMILESO=S(=O)(NCCCCCCN1CCCC1)c1cccc2c(Cl)cccc12
InChIInChI=1S/C20H27ClN2O2S/c21-19-11-7-10-18-17(19)9-8-12-20(18)26(24,25)22-13-3-1-2-4-14-23-15-5-6-16-23/h7-12,22H,1-6,13-16H2
InChIKeyJFIZQLDPTUFSSO-UHFFFAOYSA-N
XLogP4.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.97
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(3-piperazin-1-ylpropyl)naphthalene-1-sulfonamide;dihydrochloride
CID 119994715
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 90938157
N-[5-(azepan-1-yl)pentyl]benzenesulfonamide
CID 110444590
2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 78843443
2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 65498984
N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide
CID 120583360
N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide;hydrochloride
CID 120583359
2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 106594474
2,6-dichloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzenesulfonamide;hydrochloride
CID 69017720
N-[4-[4-(2-oxo-1,3-dihydrobenzimidazol-4-yl)piperazin-1-yl]butyl]naphthalene-1-sulfonamide
CID 66801231
N-(5-chloropentyl)naphthalene-1-sulfonamide
CID 107322709
3-bromo-4-chloro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 106611329

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(6-pyrrolidin-1-ylhexyl)naphthalene-1-sulfonamide?
The IUPAC name of 5-chloro-N-(6-pyrrolidin-1-ylhexyl)naphthalene-1-sulfonamide (CID 56955991) is 5-chloro-N-(6-pyrrolidin-1-ylhexyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 5-chloro-N-(6-pyrrolidin-1-ylhexyl)naphthalene-1-sulfonamide?
The canonical SMILES for 5-chloro-N-(6-pyrrolidin-1-ylhexyl)naphthalene-1-sulfonamide is O=S(=O)(NCCCCCCN1CCCC1)c1cccc2c(Cl)cccc12.
What is the InChIKey of 5-chloro-N-(6-pyrrolidin-1-ylhexyl)naphthalene-1-sulfonamide?
The InChIKey is JFIZQLDPTUFSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O2S/c21-19-11-7-10-18-17(19)9-8-12-20(18)26(24,25)22-13-3-1-2-4-14-23-15-5-6-16-23/h7-12,22H,1-6,13-16H2.
What are the key properties of 5-chloro-N-(6-pyrrolidin-1-ylhexyl)naphthalene-1-sulfonamide?
5-chloro-N-(6-pyrrolidin-1-ylhexyl)naphthalene-1-sulfonamide has a molecular weight of 394.97 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(6-pyrrolidin-1-ylhexyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 56955991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).