N-[4-(4-benzhydrylpiperazine-1-carbonyl)-3-chlorophenyl]methanesulfonamide

C25H26ClN3O3S — CID 92677391

IUPACN-[4-(4-benzhydrylpiperazine-1-carbonyl)-3-chlorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C25H26ClN3O3S/c1-33(31,32)27-21-12-13-22(23(26)18-21)25(30)29-16-14-28(15-17-29)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,24,27H,14-17H2,1H3
InChIKeyYJEHVWKILYKOQY-UHFFFAOYSA-N
MW484.02 g/mol
LogP4.26
Rot. Bonds6

About N-[4-(4-benzhydrylpiperazine-1-carbonyl)-3-chlorophenyl]methanesulfonamide

N-[4-(4-benzhydrylpiperazine-1-carbonyl)-3-chlorophenyl]methanesulfonamide (PubChem CID 92677391) has the molecular formula C25H26ClN3O3S and a molecular weight of 484.02 g/mol. Its IUPAC name is N-[4-(4-benzhydrylpiperazine-1-carbonyl)-3-chlorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-benzhydrylpiperazine-1-carbonyl)-3-chlorophenyl]methanesulfonamide
PubChem CID92677391
Molecular FormulaC25H26ClN3O3S
Molecular Weight484.02 g/mol
Exact Mass483.14
IUPAC NameN-[4-(4-benzhydrylpiperazine-1-carbonyl)-3-chlorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C25H26ClN3O3S/c1-33(31,32)27-21-12-13-22(23(26)18-21)25(30)29-16-14-28(15-17-29)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,24,27H,14-17H2,1H3
InChIKeyYJEHVWKILYKOQY-UHFFFAOYSA-N
XLogP4.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.02
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 2972888
(4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone
CID 1083374
N-[3-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 46772565
5-(4-benzhydrylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 4192101
4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 1358692
2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide
CID 43876402
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 2353026
N-[3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55646310
(2,6-dichlorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100045
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 29262916
2-chloro-4-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
CID 43877134
2-chloro-4-(methanesulfonamido)-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 99949544

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzhydrylpiperazine-1-carbonyl)-3-chlorophenyl]methanesulfonamide?
The IUPAC name of N-[4-(4-benzhydrylpiperazine-1-carbonyl)-3-chlorophenyl]methanesulfonamide (CID 92677391) is N-[4-(4-benzhydrylpiperazine-1-carbonyl)-3-chlorophenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-benzhydrylpiperazine-1-carbonyl)-3-chlorophenyl]methanesulfonamide?
The canonical SMILES for N-[4-(4-benzhydrylpiperazine-1-carbonyl)-3-chlorophenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1.
What is the InChIKey of N-[4-(4-benzhydrylpiperazine-1-carbonyl)-3-chlorophenyl]methanesulfonamide?
The InChIKey is YJEHVWKILYKOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O3S/c1-33(31,32)27-21-12-13-22(23(26)18-21)25(30)29-16-14-28(15-17-29)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,24,27H,14-17H2,1H3.
What are the key properties of N-[4-(4-benzhydrylpiperazine-1-carbonyl)-3-chlorophenyl]methanesulfonamide?
N-[4-(4-benzhydrylpiperazine-1-carbonyl)-3-chlorophenyl]methanesulfonamide has a molecular weight of 484.02 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzhydrylpiperazine-1-carbonyl)-3-chlorophenyl]methanesulfonamide is sourced from PubChem (CID 92677391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).