4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide

C25H31N3O4S — CID 118464996

IUPAC4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCOc1ccc2cccc(CCNS(=O)(=O)c3ccc(OC)c(N4CCN(C)CC4)c3)c2c1
InChIInChI=1S/C25H31N3O4S/c1-27-13-15-28(16-14-27)24-18-22(9-10-25(24)32-3)33(29,30)26-12-11-20-6-4-5-19-7-8-21(31-2)17-23(19)20/h4-10,17-18,26H,11-16H2,1-3H3
InChIKeyPRFXDHWSXMLZQY-UHFFFAOYSA-N
MW469.61 g/mol
LogP3.13
Rot. Bonds8

About 4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide

4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide (PubChem CID 118464996) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is 4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide
PubChem CID118464996
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC Name4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCOc1ccc2cccc(CCNS(=O)(=O)c3ccc(OC)c(N4CCN(C)CC4)c3)c2c1
InChIInChI=1S/C25H31N3O4S/c1-27-13-15-28(16-14-27)24-18-22(9-10-25(24)32-3)33(29,30)26-12-11-20-6-4-5-19-7-8-21(31-2)17-23(19)20/h4-10,17-18,26H,11-16H2,1-3H3
InChIKeyPRFXDHWSXMLZQY-UHFFFAOYSA-N
XLogP3.13
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-3-piperazin-1-yl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 17940224
N-[2-(7-bromonaphthalen-1-yl)ethyl]-4-methoxy-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 91971999
4-methoxy-3-(4-methylpiperazin-1-yl)-N-(2-naphthalen-1-ylethyl)benzenesulfonamide
CID 118464995
4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-piperazin-1-ylbenzenesulfonamide
CID 118464998
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-bromonaphthalen-1-yl)-2-methylpropyl]-4-methoxy-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 118465045
N-[2-(7-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 118465171
4-methoxy-N-(2-methoxy-5-methylphenyl)-3-[(1-methylpiperidin-4-yl)amino]benzenesulfonamide
CID 49863190
N-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71455432
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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide (CID 118464996) is 4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide is COc1ccc2cccc(CCNS(=O)(=O)c3ccc(OC)c(N4CCN(C)CC4)c3)c2c1.
What is the InChIKey of 4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide?
The InChIKey is PRFXDHWSXMLZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-27-13-15-28(16-14-27)24-18-22(9-10-25(24)32-3)33(29,30)26-12-11-20-6-4-5-19-7-8-21(31-2)17-23(19)20/h4-10,17-18,26H,11-16H2,1-3H3.
What are the key properties of 4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide?
4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide has a molecular weight of 469.61 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(7-methoxynaphthalen-1-yl)ethyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 118464996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).