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

C23H27N3O3S — CID 42267840

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide
SMILESCOc1ccccc1N1CCN(CCNS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H27N3O3S/c1-29-23-9-5-4-8-22(23)26-16-14-25(15-17-26)13-12-24-30(27,28)21-11-10-19-6-2-3-7-20(19)18-21/h2-11,18,24H,12-17H2,1H3
InChIKeyRQEBRILFCMJWAD-UHFFFAOYSA-N
MW425.55 g/mol
LogP2.95
Rot. Bonds7

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

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide (PubChem CID 42267840) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide
PubChem CID42267840
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide
SMILESCOc1ccccc1N1CCN(CCNS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H27N3O3S/c1-29-23-9-5-4-8-22(23)26-16-14-25(15-17-26)13-12-24-30(27,28)21-11-10-19-6-2-3-7-20(19)18-21/h2-11,18,24H,12-17H2,1H3
InChIKeyRQEBRILFCMJWAD-UHFFFAOYSA-N
XLogP2.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide (CID 42267840) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide is COc1ccccc1N1CCN(CCNS(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide?
The InChIKey is RQEBRILFCMJWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-29-23-9-5-4-8-22(23)26-16-14-25(15-17-26)13-12-24-30(27,28)21-11-10-19-6-2-3-7-20(19)18-21/h2-11,18,24H,12-17H2,1H3.
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide has a molecular weight of 425.55 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 42267840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).