N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide

C25H26ClN3O3S — CID 43009101

IUPACN-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(c4ccccc4Cl)CC3)cc2)cc1C
InChIInChI=1S/C25H26ClN3O3S/c1-18-7-12-22(17-19(18)2)33(31,32)27-21-10-8-20(9-11-21)25(30)29-15-13-28(14-16-29)24-6-4-3-5-23(24)26/h3-12,17,27H,13-16H2,1-2H3
InChIKeyDKKOZYFSTPQBHH-UHFFFAOYSA-N
MW484.02 g/mol
LogP4.72
Rot. Bonds5

About N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide

N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 43009101) has the molecular formula C25H26ClN3O3S and a molecular weight of 484.02 g/mol. Its IUPAC name is N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide
PubChem CID43009101
Molecular FormulaC25H26ClN3O3S
Molecular Weight484.02 g/mol
Exact Mass483.14
IUPAC NameN-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(c4ccccc4Cl)CC3)cc2)cc1C
InChIInChI=1S/C25H26ClN3O3S/c1-18-7-12-22(17-19(18)2)33(31,32)27-21-10-8-20(9-11-21)25(30)29-15-13-28(14-16-29)24-6-4-3-5-23(24)26/h3-12,17,27H,13-16H2,1-2H3
InChIKeyDKKOZYFSTPQBHH-UHFFFAOYSA-N
XLogP4.72
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.02
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 55646281
N-(3,4-dimethylphenyl)-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 27825919
N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 27671578
N-(4-chlorophenyl)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 26693557
3,4-dimethyl-N-[4-(1-oxo-1,4-thiazinane-4-carbonyl)phenyl]benzenesulfonamide
CID 56535834
N-[4-(1,4-diazepane-1-carbonyl)phenyl]-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119414705
N-(4-chlorophenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 26590719
2,4,5-trichloro-N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 134404543
N-[1-[4-[(3,4-dimethylphenyl)sulfonylamino]benzoyl]piperidin-4-yl]benzamide
CID 46678397
4-methyl-3-[4-(2-methylphenyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 71249741
N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 71467536
4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 55821678

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide (CID 43009101) is N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(c4ccccc4Cl)CC3)cc2)cc1C.
What is the InChIKey of N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is DKKOZYFSTPQBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O3S/c1-18-7-12-22(17-19(18)2)33(31,32)27-21-10-8-20(9-11-21)25(30)29-15-13-28(14-16-29)24-6-4-3-5-23(24)26/h3-12,17,27H,13-16H2,1-2H3.
What are the key properties of N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide?
N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 484.02 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 43009101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).