N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenylbenzenesulfonamide

C24H27N3O3S — CID 18180082

IUPACN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1N1CCN(C)CC1
InChIInChI=1S/C24H27N3O3S/c1-26-14-16-27(17-15-26)23-18-21(10-13-24(23)30-2)25-31(28,29)22-11-8-20(9-12-22)19-6-4-3-5-7-19/h3-13,18,25H,14-17H2,1-2H3
InChIKeyXYKOEYVUPFAGKY-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.91
Rot. Bonds6

About N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenylbenzenesulfonamide

N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenylbenzenesulfonamide (PubChem CID 18180082) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenylbenzenesulfonamide
PubChem CID18180082
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1N1CCN(C)CC1
InChIInChI=1S/C24H27N3O3S/c1-26-14-16-27(17-15-26)23-18-21(10-13-24(23)30-2)25-31(28,29)22-11-8-20(9-12-22)19-6-4-3-5-7-19/h3-13,18,25H,14-17H2,1-2H3
InChIKeyXYKOEYVUPFAGKY-UHFFFAOYSA-N
XLogP3.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 18180115
4-bromo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 6918647
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 18180114
2-bromo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;hydrochloride
CID 44533201
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]benzenesulfonamide
CID 112505930
2,5-difluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 174398149
5-(benzenesulfonamido)-2-(4-methylpiperazin-1-yl)benzoic acid
CID 50766128
2-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]sulfonyl-7-phenyl-3,4-dihydro-1H-isoquinoline
CID 18354575
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 112505931
N-(2-acetylphenyl)-4-methoxy-3-(4-methylpiperazin-1-yl)benzenesulfonamide;N-(4-bromo-3-chlorophenyl)-4-methoxy-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 174330732
4-(3,5-difluorophenyl)-N-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]benzenesulfonamide
CID 69197431
3,4-dimethoxy-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 16810402

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenylbenzenesulfonamide (CID 18180082) is N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1N1CCN(C)CC1.
What is the InChIKey of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenylbenzenesulfonamide?
The InChIKey is XYKOEYVUPFAGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-26-14-16-27(17-15-26)23-18-21(10-13-24(23)30-2)25-31(28,29)22-11-8-20(9-12-22)19-6-4-3-5-7-19/h3-13,18,25H,14-17H2,1-2H3.
What are the key properties of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenylbenzenesulfonamide?
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenylbenzenesulfonamide has a molecular weight of 437.57 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 18180082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).