N-[2-[2-[(6-chloronaphthalen-1-yl)amino]ethyl-ethylamino]ethyl]pyridine-3-sulfonamide

C21H25ClN4O2S — CID 58152636

IUPACN-[2-[2-[(6-chloronaphthalen-1-yl)amino]ethyl-ethylamino]ethyl]pyridine-3-sulfonamide
SMILESCCN(CCNc1cccc2cc(Cl)ccc12)CCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C21H25ClN4O2S/c1-2-26(14-12-25-29(27,28)19-6-4-10-23-16-19)13-11-24-21-7-3-5-17-15-18(22)8-9-20(17)21/h3-10,15-16,24-25H,2,11-14H2,1H3
InChIKeyQOUWHQMSUZYRHH-UHFFFAOYSA-N
MW432.98 g/mol
LogP3.60
Rot. Bonds10

About N-[2-[2-[(6-chloronaphthalen-1-yl)amino]ethyl-ethylamino]ethyl]pyridine-3-sulfonamide

N-[2-[2-[(6-chloronaphthalen-1-yl)amino]ethyl-ethylamino]ethyl]pyridine-3-sulfonamide (PubChem CID 58152636) has the molecular formula C21H25ClN4O2S and a molecular weight of 432.98 g/mol. Its IUPAC name is N-[2-[2-[(6-chloronaphthalen-1-yl)amino]ethyl-ethylamino]ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[2-[(6-chloronaphthalen-1-yl)amino]ethyl-ethylamino]ethyl]pyridine-3-sulfonamide
PubChem CID58152636
Molecular FormulaC21H25ClN4O2S
Molecular Weight432.98 g/mol
Exact Mass432.14
IUPAC NameN-[2-[2-[(6-chloronaphthalen-1-yl)amino]ethyl-ethylamino]ethyl]pyridine-3-sulfonamide
SMILESCCN(CCNc1cccc2cc(Cl)ccc12)CCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C21H25ClN4O2S/c1-2-26(14-12-25-29(27,28)19-6-4-10-23-16-19)13-11-24-21-7-3-5-17-15-18(22)8-9-20(17)21/h3-10,15-16,24-25H,2,11-14H2,1H3
InChIKeyQOUWHQMSUZYRHH-UHFFFAOYSA-N
XLogP3.60
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.98
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride
CID 2998823
N-propylpyridine-3-sulfonamide
CID 43258995
1-N-(6-chloronaphthalen-1-yl)-4-N,4-N-diethylpentane-1,4-diamine
CID 22215460
N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]pyridine-3-sulfonamide
CID 46966805
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113055400
3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide
CID 8716582
2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide
CID 114132607
5,6-dichloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-sulfonamide
CID 103721200
N-[2-(diethylamino)ethyl]naphthalene-2-sulfonamide
CID 8716562
N-(2,5-dichlorophenyl)pyridine-3-sulfonamide
CID 16638548
N-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]-ethylamino]ethyl]isoquinoline-5-sulfonamide;N-[2-[[(E)-4-(4-chlorophenyl)but-3-en-2-yl]amino]ethyl]isoquinoline-5-sulfonamide
CID 10485890
2,3-dichloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716586

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(6-chloronaphthalen-1-yl)amino]ethyl-ethylamino]ethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-[2-[(6-chloronaphthalen-1-yl)amino]ethyl-ethylamino]ethyl]pyridine-3-sulfonamide (CID 58152636) is N-[2-[2-[(6-chloronaphthalen-1-yl)amino]ethyl-ethylamino]ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-[2-[(6-chloronaphthalen-1-yl)amino]ethyl-ethylamino]ethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-[2-[(6-chloronaphthalen-1-yl)amino]ethyl-ethylamino]ethyl]pyridine-3-sulfonamide is CCN(CCNc1cccc2cc(Cl)ccc12)CCNS(=O)(=O)c1cccnc1.
What is the InChIKey of N-[2-[2-[(6-chloronaphthalen-1-yl)amino]ethyl-ethylamino]ethyl]pyridine-3-sulfonamide?
The InChIKey is QOUWHQMSUZYRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2S/c1-2-26(14-12-25-29(27,28)19-6-4-10-23-16-19)13-11-24-21-7-3-5-17-15-18(22)8-9-20(17)21/h3-10,15-16,24-25H,2,11-14H2,1H3.
What are the key properties of N-[2-[2-[(6-chloronaphthalen-1-yl)amino]ethyl-ethylamino]ethyl]pyridine-3-sulfonamide?
N-[2-[2-[(6-chloronaphthalen-1-yl)amino]ethyl-ethylamino]ethyl]pyridine-3-sulfonamide has a molecular weight of 432.98 g/mol, XLogP of 3.60, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(6-chloronaphthalen-1-yl)amino]ethyl-ethylamino]ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 58152636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).