3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide

C24H25N3O5S2 — CID 24979802

IUPAC3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2)c1
InChIInChI=1S/C24H25N3O5S2/c1-19-7-5-9-21(17-19)25-33(29,30)23-12-6-8-20(18-23)24(28)26-13-15-27(16-14-26)34(31,32)22-10-3-2-4-11-22/h2-12,17-18,25H,13-16H2,1H3
InChIKeyKEZQXJWTAVAXIN-UHFFFAOYSA-N
MW499.61 g/mol
LogP2.94
Rot. Bonds6

About 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide

3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 24979802) has the molecular formula C24H25N3O5S2 and a molecular weight of 499.61 g/mol. Its IUPAC name is 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
PubChem CID24979802
Molecular FormulaC24H25N3O5S2
Molecular Weight499.61 g/mol
Exact Mass499.12
IUPAC Name3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2)c1
InChIInChI=1S/C24H25N3O5S2/c1-19-7-5-9-21(17-19)25-33(29,30)23-12-6-8-20(18-23)24(28)26-13-15-27(16-14-26)34(31,32)22-10-3-2-4-11-22/h2-12,17-18,25H,13-16H2,1H3
InChIKeyKEZQXJWTAVAXIN-UHFFFAOYSA-N
XLogP2.94
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 5295909
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 9336389
3-(4-aminopiperidine-1-carbonyl)-N-(3-methylphenyl)benzenesulfonamide
CID 119373314
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide
CID 55348385
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
N-(3-methylphenyl)-3-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 34743760
N-(3-methylphenyl)-3-(3-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119576776
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
3-(4-formylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 109064404
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059175
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9496000

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide (CID 24979802) is 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2)c1.
What is the InChIKey of 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is KEZQXJWTAVAXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S2/c1-19-7-5-9-21(17-19)25-33(29,30)23-12-6-8-20(18-23)24(28)26-13-15-27(16-14-26)34(31,32)22-10-3-2-4-11-22/h2-12,17-18,25H,13-16H2,1H3.
What are the key properties of 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide?
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 499.61 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzenesulfonyl)piperazine-1-carbonyl]-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 24979802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).