N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methanesulfonamide

C25H27N3O3S — CID 2972888

IUPACN-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H27N3O3S/c1-32(30,31)26-23-14-12-22(13-15-23)25(29)28-18-16-27(17-19-28)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,24,26H,16-19H2,1H3
InChIKeyMAUXGPARIGKBTL-UHFFFAOYSA-N
MW449.58 g/mol
LogP3.61
Rot. Bonds6

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

N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 2972888) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methanesulfonamide
PubChem CID2972888
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC NameN-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C25H27N3O3S/c1-32(30,31)26-23-14-12-22(13-15-23)25(29)28-18-16-27(17-19-28)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,24,26H,16-19H2,1H3
InChIKeyMAUXGPARIGKBTL-UHFFFAOYSA-N
XLogP3.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-benzhydrylpiperazine-1-carbonyl)-3-chlorophenyl]methanesulfonamide
CID 92677391
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 2353026
4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide
CID 10158784
N-[4-[4-(4-tert-butylbenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 108535301
5-(4-benzhydrylpiperazine-1-carbonyl)-2-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 4192101
(4-benzhydrylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 1033393
benzyl 4-[4-(methanesulfonamido)benzoyl]piperazine-1-carboxylate
CID 108568481
N-[4-[4-(2-ethylbutanoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 32641762
methyl 4-[4-[(4-methylphenyl)-phenylmethyl]piperazine-1-carbonyl]benzoate
CID 46100480
[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 92767617
(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 1343328
N-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]methanesulfonamide
CID 7029961

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methanesulfonamide (CID 2972888) is N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is MAUXGPARIGKBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-32(30,31)26-23-14-12-22(13-15-23)25(29)28-18-16-27(17-19-28)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,24,26H,16-19H2,1H3.
What are the key properties of N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methanesulfonamide has a molecular weight of 449.58 g/mol, XLogP of 3.61, 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)phenyl]methanesulfonamide is sourced from PubChem (CID 2972888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).