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

C19H22F3N3O4S — CID 18180114

IUPACN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1N1CCN(C)CC1
InChIInChI=1S/C19H22F3N3O4S/c1-24-9-11-25(12-10-24)17-13-14(3-8-18(17)28-2)23-30(26,27)16-6-4-15(5-7-16)29-19(20,21)22/h3-8,13,23H,9-12H2,1-2H3
InChIKeyCPRSLDMOPNHGRU-UHFFFAOYSA-N
MW445.46 g/mol
LogP3.15
Rot. Bonds6

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

N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 18180114) has the molecular formula C19H22F3N3O4S and a molecular weight of 445.46 g/mol. Its IUPAC name is N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID18180114
Molecular FormulaC19H22F3N3O4S
Molecular Weight445.46 g/mol
Exact Mass445.13
IUPAC NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1N1CCN(C)CC1
InChIInChI=1S/C19H22F3N3O4S/c1-24-9-11-25(12-10-24)17-13-14(3-8-18(17)28-2)23-30(26,27)16-6-4-15(5-7-16)29-19(20,21)22/h3-8,13,23H,9-12H2,1-2H3
InChIKeyCPRSLDMOPNHGRU-UHFFFAOYSA-N
XLogP3.15
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-phenylbenzenesulfonamide
CID 18180082
N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3863930
4-[[3-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxyphenyl]sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 44529833
N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8523422
N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 36514229
2,5-difluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 174398149
2-bromo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;hydrochloride
CID 44533201
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 4796545
N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-methyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide;hydrochloride
CID 141402553
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90595606

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 18180114) is N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1N1CCN(C)CC1.
What is the InChIKey of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is CPRSLDMOPNHGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O4S/c1-24-9-11-25(12-10-24)17-13-14(3-8-18(17)28-2)23-30(26,27)16-6-4-15(5-7-16)29-19(20,21)22/h3-8,13,23H,9-12H2,1-2H3.
What are the key properties of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 445.46 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 18180114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).