N-[2-(benzhydrylamino)-4-(4-methylpiperazin-1-yl)phenyl]methanesulfonamide

C25H30N4O2S — CID 134588766

IUPACN-[2-(benzhydrylamino)-4-(4-methylpiperazin-1-yl)phenyl]methanesulfonamide
SMILESCN1CCN(c2ccc(NS(C)(=O)=O)c(NC(c3ccccc3)c3ccccc3)c2)CC1
InChIInChI=1S/C25H30N4O2S/c1-28-15-17-29(18-16-28)22-13-14-23(27-32(2,30)31)24(19-22)26-25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,25-27H,15-18H2,1-2H3
InChIKeyLUBVMRQXYXXBTA-UHFFFAOYSA-N
MW450.61 g/mol
LogP4.01
Rot. Bonds7

About N-[2-(benzhydrylamino)-4-(4-methylpiperazin-1-yl)phenyl]methanesulfonamide

N-[2-(benzhydrylamino)-4-(4-methylpiperazin-1-yl)phenyl]methanesulfonamide (PubChem CID 134588766) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is N-[2-(benzhydrylamino)-4-(4-methylpiperazin-1-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(benzhydrylamino)-4-(4-methylpiperazin-1-yl)phenyl]methanesulfonamide
PubChem CID134588766
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC NameN-[2-(benzhydrylamino)-4-(4-methylpiperazin-1-yl)phenyl]methanesulfonamide
SMILESCN1CCN(c2ccc(NS(C)(=O)=O)c(NC(c3ccccc3)c3ccccc3)c2)CC1
InChIInChI=1S/C25H30N4O2S/c1-28-15-17-29(18-16-28)22-13-14-23(27-32(2,30)31)24(19-22)26-25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,25-27H,15-18H2,1-2H3
InChIKeyLUBVMRQXYXXBTA-UHFFFAOYSA-N
XLogP4.01
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzhydryl-5-(4-methylpiperazin-1-yl)-2-methylsulfonylaniline
CID 134589546
N-benzhydryl-5-[4-(2-methylpropyl)-1,4-diazepan-1-yl]-2-methylsulfonylaniline
CID 134589280
N-(2-chloro-5-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 110361942
1-[4-[3-(benzhydrylamino)-4-fluorophenyl]piperazin-1-yl]ethanol
CID 134589329
N-benzhydryl-2-fluoro-5-[4-(trifluoromethyl)piperazin-1-yl]aniline
CID 134588903
N-benzhydryl-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-(trifluoromethyl)aniline
CID 134588857
N-[4-(4-acetylpiperazin-1-yl)-2-methylphenyl]methanesulfonamide
CID 21278904
[2-chloro-5-(4-methylpiperazin-1-yl)phenyl]carbamic acid
CID 155227664
N-[2-(ethylamino)-4-(4-methylpiperazin-1-yl)phenyl]-3-fluorobenzenesulfonamide
CID 22272539
2-[(3,4-dimethylphenyl)sulfonylamino]-5-(4-methylpiperazin-1-yl)benzoic acid
CID 50780938
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(methanesulfonamido)benzoic acid
CID 50781041
N-benzhydryl-5-(4-butyl-1,4-diazepan-1-yl)-2-(trifluoromethyl)aniline
CID 134589793

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzhydrylamino)-4-(4-methylpiperazin-1-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(benzhydrylamino)-4-(4-methylpiperazin-1-yl)phenyl]methanesulfonamide (CID 134588766) is N-[2-(benzhydrylamino)-4-(4-methylpiperazin-1-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(benzhydrylamino)-4-(4-methylpiperazin-1-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(benzhydrylamino)-4-(4-methylpiperazin-1-yl)phenyl]methanesulfonamide is CN1CCN(c2ccc(NS(C)(=O)=O)c(NC(c3ccccc3)c3ccccc3)c2)CC1.
What is the InChIKey of N-[2-(benzhydrylamino)-4-(4-methylpiperazin-1-yl)phenyl]methanesulfonamide?
The InChIKey is LUBVMRQXYXXBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-28-15-17-29(18-16-28)22-13-14-23(27-32(2,30)31)24(19-22)26-25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,25-27H,15-18H2,1-2H3.
What are the key properties of N-[2-(benzhydrylamino)-4-(4-methylpiperazin-1-yl)phenyl]methanesulfonamide?
N-[2-(benzhydrylamino)-4-(4-methylpiperazin-1-yl)phenyl]methanesulfonamide has a molecular weight of 450.61 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzhydrylamino)-4-(4-methylpiperazin-1-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 134588766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).