N,4-dimethyl-N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide

C26H29N3O3S — CID 46533875

IUPACN,4-dimethyl-N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN(C)CC3c3ccccc3)cc2)cc1
InChIInChI=1S/C26H29N3O3S/c1-20-9-15-24(16-10-20)33(31,32)28(3)23-13-11-22(12-14-23)26(30)29-18-17-27(2)19-25(29)21-7-5-4-6-8-21/h4-16,25H,17-19H2,1-3H3
InChIKeyKPOJIAQHWFPSCB-UHFFFAOYSA-N
MW463.60 g/mol
LogP3.95
Rot. Bonds5

About N,4-dimethyl-N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide

N,4-dimethyl-N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 46533875) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is N,4-dimethyl-N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID46533875
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC NameN,4-dimethyl-N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN(C)CC3c3ccccc3)cc2)cc1
InChIInChI=1S/C26H29N3O3S/c1-20-9-15-24(16-10-20)33(31,32)28(3)23-13-11-22(12-14-23)26(30)29-18-17-27(2)19-25(29)21-7-5-4-6-8-21/h4-16,25H,17-19H2,1-3H3
InChIKeyKPOJIAQHWFPSCB-UHFFFAOYSA-N
XLogP3.95
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
N-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 2473147
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-N,4-dimethylbenzenesulfonamide
CID 55646194
N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 3119066
N-[4-(3-aminopiperidine-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119380856
4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride
CID 119375145
2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one
CID 134042687
[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 38169652
[4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea
CID 37333541
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide
CID 53279690

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide (CID 46533875) is N,4-dimethyl-N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCN(C)CC3c3ccccc3)cc2)cc1.
What is the InChIKey of N,4-dimethyl-N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is KPOJIAQHWFPSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-20-9-15-24(16-10-20)33(31,32)28(3)23-13-11-22(12-14-23)26(30)29-18-17-27(2)19-25(29)21-7-5-4-6-8-21/h4-16,25H,17-19H2,1-3H3.
What are the key properties of N,4-dimethyl-N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
N,4-dimethyl-N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 463.60 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 46533875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).