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

C25H31N3O3S — CID 46232977

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide
SMILESCOc1ccccc1N1CCN(CCC(C)NS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C25H31N3O3S/c1-20(26-32(29,30)23-12-11-21-7-3-4-8-22(21)19-23)13-14-27-15-17-28(18-16-27)24-9-5-6-10-25(24)31-2/h3-12,19-20,26H,13-18H2,1-2H3
InChIKeyFLTTZQVAMFZDGS-UHFFFAOYSA-N
MW453.61 g/mol
LogP3.73
Rot. Bonds8

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

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide (PubChem CID 46232977) has the molecular formula C25H31N3O3S and a molecular weight of 453.61 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide
PubChem CID46232977
Molecular FormulaC25H31N3O3S
Molecular Weight453.61 g/mol
Exact Mass453.21
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide
SMILESCOc1ccccc1N1CCN(CCC(C)NS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C25H31N3O3S/c1-20(26-32(29,30)23-12-11-21-7-3-4-8-22(21)19-23)13-14-27-15-17-28(18-16-27)24-9-5-6-10-25(24)31-2/h3-12,19-20,26H,13-18H2,1-2H3
InChIKeyFLTTZQVAMFZDGS-UHFFFAOYSA-N
XLogP3.73
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)naphthalene-2-sulfonamide
CID 578894
5-chloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 10837078
4-methoxy-3-piperazin-1-yl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 17940224
N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-2-methoxy-5-methylbenzenesulfonamide
CID 44431564
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-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 118464996
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-fluoronaphthalen-1-yl)ethyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 118465171
rac-N-[(1R,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784696

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide (CID 46232977) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide is COc1ccccc1N1CCN(CCC(C)NS(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide?
The InChIKey is FLTTZQVAMFZDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3S/c1-20(26-32(29,30)23-12-11-21-7-3-4-8-22(21)19-23)13-14-27-15-17-28(18-16-27)24-9-5-6-10-25(24)31-2/h3-12,19-20,26H,13-18H2,1-2H3.
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide has a molecular weight of 453.61 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-2-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 46232977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).