N-[2-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide

C25H26ClN3O3S — CID 30395425

IUPACN-[2-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
SMILESCc1cccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4)c(Cl)c3)CC2)c1C
InChIInChI=1S/C25H26ClN3O3S/c1-18-7-6-10-24(19(18)2)28-13-15-29(16-14-28)25(30)20-11-12-23(22(26)17-20)27-33(31,32)21-8-4-3-5-9-21/h3-12,17,27H,13-16H2,1-2H3
InChIKeyHDPPHUHMEOSFQR-UHFFFAOYSA-N
MW484.02 g/mol
LogP4.72
Rot. Bonds5

About N-[2-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide

N-[2-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide (PubChem CID 30395425) has the molecular formula C25H26ClN3O3S and a molecular weight of 484.02 g/mol. Its IUPAC name is N-[2-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
PubChem CID30395425
Molecular FormulaC25H26ClN3O3S
Molecular Weight484.02 g/mol
Exact Mass483.14
IUPAC NameN-[2-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
SMILESCc1cccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4)c(Cl)c3)CC2)c1C
InChIInChI=1S/C25H26ClN3O3S/c1-18-7-6-10-24(19(18)2)28-13-15-29(16-14-28)25(30)20-11-12-23(22(26)17-20)27-33(31,32)21-8-4-3-5-9-21/h3-12,17,27H,13-16H2,1-2H3
InChIKeyHDPPHUHMEOSFQR-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-[2-chloro-4-(4-formylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 92683589
N-[2-chloro-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 46770608
N-(2-chlorophenyl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 4806668
N-[2-chloro-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide
CID 43876499
N-[2-chloro-4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 46778433
(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 26881725
[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28590852
(5,6-dichloro-3-pyridinyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 2102498
(4-aminophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28722555
(4-chloro-3-nitrophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1346504
N-[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]-3,4-dimethylbenzenesulfonamide
CID 43009101
N-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 18108586

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[2-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide (CID 30395425) is N-[2-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide is Cc1cccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4)c(Cl)c3)CC2)c1C.
What is the InChIKey of N-[2-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The InChIKey is HDPPHUHMEOSFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O3S/c1-18-7-6-10-24(19(18)2)28-13-15-29(16-14-28)25(30)20-11-12-23(22(26)17-20)27-33(31,32)21-8-4-3-5-9-21/h3-12,17,27H,13-16H2,1-2H3.
What are the key properties of N-[2-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
N-[2-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide 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-[2-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 30395425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).