4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]aniline

C18H23N3O3S — CID 86099382

IUPAC4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]aniline
SMILESCOc1ccc(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-20-11-13-21(14-12-20)25(22,23)18-9-5-16(6-10-18)19-15-3-7-17(24-2)8-4-15/h3-10,19H,11-14H2,1-2H3
InChIKeyGJLITLCQWNZHFM-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.37
Rot. Bonds5

About 4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]aniline

4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]aniline (PubChem CID 86099382) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]aniline
PubChem CID86099382
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]aniline
SMILESCOc1ccc(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-20-11-13-21(14-12-20)25(22,23)18-9-5-16(6-10-18)19-15-3-7-17(24-2)8-4-15/h3-10,19H,11-14H2,1-2H3
InChIKeyGJLITLCQWNZHFM-UHFFFAOYSA-N
XLogP2.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
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(E)-3-(4-methoxyphenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]prop-2-enamide
CID 6211762
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1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
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CID 139066606
1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone
CID 4844704
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
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1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
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CID 62148455

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]aniline?
The IUPAC name of 4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]aniline (CID 86099382) is 4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]aniline.
What is the SMILES notation for 4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]aniline?
The canonical SMILES for 4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]aniline is COc1ccc(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]aniline?
The InChIKey is GJLITLCQWNZHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-20-11-13-21(14-12-20)25(22,23)18-9-5-16(6-10-18)19-15-3-7-17(24-2)8-4-15/h3-10,19H,11-14H2,1-2H3.
What are the key properties of 4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]aniline?
4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]aniline has a molecular weight of 361.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]aniline is sourced from PubChem (CID 86099382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).