5-chloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide

C22H24ClN3O3S — CID 10837078

IUPAC5-chloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(Cl)cccc3c2)cc1N1CCN(C)CC1
InChIInChI=1S/C22H24ClN3O3S/c1-25-10-12-26(13-11-25)21-15-17(6-9-22(21)29-2)24-30(27,28)18-7-8-19-16(14-18)4-3-5-20(19)23/h3-9,14-15,24H,10-13H2,1-2H3
InChIKeyIZNFRDRWOOSYSH-UHFFFAOYSA-N
MW445.97 g/mol
LogP4.05
Rot. Bonds5

About 5-chloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide

5-chloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide (PubChem CID 10837078) has the molecular formula C22H24ClN3O3S and a molecular weight of 445.97 g/mol. Its IUPAC name is 5-chloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide
PubChem CID10837078
Molecular FormulaC22H24ClN3O3S
Molecular Weight445.97 g/mol
Exact Mass445.12
IUPAC Name5-chloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(Cl)cccc3c2)cc1N1CCN(C)CC1
InChIInChI=1S/C22H24ClN3O3S/c1-25-10-12-26(13-11-25)21-15-17(6-9-22(21)29-2)24-30(27,28)18-7-8-19-16(14-18)4-3-5-20(19)23/h3-9,14-15,24H,10-13H2,1-2H3
InChIKeyIZNFRDRWOOSYSH-UHFFFAOYSA-N
XLogP4.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.97
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide (CID 10837078) is 5-chloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc3c(Cl)cccc3c2)cc1N1CCN(C)CC1.
What is the InChIKey of 5-chloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide?
The InChIKey is IZNFRDRWOOSYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3S/c1-25-10-12-26(13-11-25)21-15-17(6-9-22(21)29-2)24-30(27,28)18-7-8-19-16(14-18)4-3-5-20(19)23/h3-9,14-15,24H,10-13H2,1-2H3.
What are the key properties of 5-chloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide?
5-chloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide has a molecular weight of 445.97 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 10837078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).