N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-1-chloronaphthalene-2-sulfonamide

C22H26ClN3O2S — CID 10296435

IUPACN-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-1-chloronaphthalene-2-sulfonamide
SMILESNCc1ccc(CCCNCCNS(=O)(=O)c2ccc3ccccc3c2Cl)cc1
InChIInChI=1S/C22H26ClN3O2S/c23-22-20-6-2-1-5-19(20)11-12-21(22)29(27,28)26-15-14-25-13-3-4-17-7-9-18(16-24)10-8-17/h1-2,5-12,25-26H,3-4,13-16,24H2
InChIKeyMFKKOBLWAUMGNF-UHFFFAOYSA-N
MW431.99 g/mol
LogP3.45
Rot. Bonds10

About N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-1-chloronaphthalene-2-sulfonamide

N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-1-chloronaphthalene-2-sulfonamide (PubChem CID 10296435) has the molecular formula C22H26ClN3O2S and a molecular weight of 431.99 g/mol. Its IUPAC name is N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-1-chloronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-1-chloronaphthalene-2-sulfonamide
PubChem CID10296435
Molecular FormulaC22H26ClN3O2S
Molecular Weight431.99 g/mol
Exact Mass431.14
IUPAC NameN-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-1-chloronaphthalene-2-sulfonamide
SMILESNCc1ccc(CCCNCCNS(=O)(=O)c2ccc3ccccc3c2Cl)cc1
InChIInChI=1S/C22H26ClN3O2S/c23-22-20-6-2-1-5-19(20)11-12-21(22)29(27,28)26-15-14-25-13-3-4-17-7-9-18(16-24)10-8-17/h1-2,5-12,25-26H,3-4,13-16,24H2
InChIKeyMFKKOBLWAUMGNF-UHFFFAOYSA-N
XLogP3.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.99
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-((3-(4-(aminomethyl)phenyl)propyl)(methyl)amino)ethyl)naphthalene-2-sulfonamide
CID 10112313
N-(2-(3-(4-(aminomethyl)phenyl)propylamino)ethyl)naphthalene-2-sulfonamide
CID 10294248
N-(2-(4-(aminomethyl)phenethylamino)ethyl)naphthalene-2-sulfonamide
CID 44411828
2-chloro-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide;hydrochloride
CID 45260483
2-chloro-N-[1-(1-naphthalen-1-ylethylamino)-3-phenylpropan-2-yl]benzenesulfonamide
CID 44303343
N-[(2-chlorophenyl)methyl]naphthalene-2-sulfonamide
CID 808058
1-[(2-Chlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1340037
N-[(3-chloro-4-methylphenyl)methyl]naphthalene-1-sulfonamide
CID 3793009
N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]-1-chloronaphthalene-2-sulfonamide
CID 10114508
N-[2-[3-[4-(aminomethyl)phenyl]propyl-ethylamino]ethyl]naphthalene-2-sulfonamide
CID 10274016
[6-[[4-(6-Chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine;hydrochloride
CID 22709518
[6-[[4-(6-Chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine
CID 22709519

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-1-chloronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-1-chloronaphthalene-2-sulfonamide (CID 10296435) is N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-1-chloronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-1-chloronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-1-chloronaphthalene-2-sulfonamide is NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3ccccc3c2Cl)cc1.
What is the InChIKey of N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-1-chloronaphthalene-2-sulfonamide?
The InChIKey is MFKKOBLWAUMGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2S/c23-22-20-6-2-1-5-19(20)11-12-21(22)29(27,28)26-15-14-25-13-3-4-17-7-9-18(16-24)10-8-17/h1-2,5-12,25-26H,3-4,13-16,24H2.
What are the key properties of N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-1-chloronaphthalene-2-sulfonamide?
N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-1-chloronaphthalene-2-sulfonamide has a molecular weight of 431.99 g/mol, XLogP of 3.45, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-(aminomethyl)phenyl]propylamino]ethyl]-1-chloronaphthalene-2-sulfonamide is sourced from PubChem (CID 10296435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).