N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide

C24H29N3O3S — CID 42389293

IUPACN-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
SMILESCOc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C24H29N3O3S/c1-30-23-10-8-22(9-11-23)27-17-15-26(16-18-27)14-4-13-25-31(28,29)24-12-7-20-5-2-3-6-21(20)19-24/h2-3,5-12,19,25H,4,13-18H2,1H3
InChIKeyOBCIEGQQVZKMIA-UHFFFAOYSA-N
MW439.58 g/mol
LogP3.34
Rot. Bonds8

About N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide

N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide (PubChem CID 42389293) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
PubChem CID42389293
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
SMILESCOc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C24H29N3O3S/c1-30-23-10-8-22(9-11-23)27-17-15-26(16-18-27)14-4-13-25-31(28,29)24-12-7-20-5-2-3-6-21(20)19-24/h2-3,5-12,19,25H,4,13-18H2,1H3
InChIKeyOBCIEGQQVZKMIA-UHFFFAOYSA-N
XLogP3.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 10837078
4-methoxy-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-1-ylethyl)benzenesulfonamide
CID 118464995
N-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 118465011
N-[2-(4-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 118465023
N-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 118465171
1-[(4-Tert-butylphenyl)sulfonyl]-4-(4-methoxyphenyl)piperazine
CID 3860166
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-methylbenzenesulfonamide
CID 398712
6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5-methoxy-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole
CID 44444559
N-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 1135733
5-(Dimethylamino)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)naphthalene-1-sulfonamide
CID 6604000
5-(Dimethylamino)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-naphthalenesulfonamide
CID 44598727
N-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}-4-methyl-benzenesulfonamide
CID 11327137

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide (CID 42389293) is N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide is COc1ccc(N2CCN(CCCNS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1.
What is the InChIKey of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
The InChIKey is OBCIEGQQVZKMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-30-23-10-8-22(9-11-23)27-17-15-26(16-18-27)14-4-13-25-31(28,29)24-12-7-20-5-2-3-6-21(20)19-24/h2-3,5-12,19,25H,4,13-18H2,1H3.
What are the key properties of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide has a molecular weight of 439.58 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 42389293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).