N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide

C32H32N4O6S2 — CID 3119066

IUPACN-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
SMILESCN(c1ccc(C(=O)N2CCN(C(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)CC2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C32H32N4O6S2/c1-33(43(39,40)29-9-5-3-6-10-29)27-17-13-25(14-18-27)31(37)35-21-23-36(24-22-35)32(38)26-15-19-28(20-16-26)34(2)44(41,42)30-11-7-4-8-12-30/h3-20H,21-24H2,1-2H3
InChIKeySYNTWNGRDUCHQM-UHFFFAOYSA-N
MW632.76 g/mol
LogP3.93
Rot. Bonds8

About N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide

N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide (PubChem CID 3119066) has the molecular formula C32H32N4O6S2 and a molecular weight of 632.76 g/mol. Its IUPAC name is N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
PubChem CID3119066
Molecular FormulaC32H32N4O6S2
Molecular Weight632.76 g/mol
Exact Mass632.18
IUPAC NameN-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
SMILESCN(c1ccc(C(=O)N2CCN(C(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)CC2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C32H32N4O6S2/c1-33(43(39,40)29-9-5-3-6-10-29)27-17-13-25(14-18-27)31(37)35-21-23-36(24-22-35)32(38)26-15-19-28(20-16-26)34(2)44(41,42)30-11-7-4-8-12-30/h3-20H,21-24H2,1-2H3
InChIKeySYNTWNGRDUCHQM-UHFFFAOYSA-N
XLogP3.93
TPSA115.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.76
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 1107832
N-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 2473147
N-methyl-N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 2715498
4-[benzenesulfonyl(methyl)amino]benzoic acid
CID 804306
N-[4-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]-N,4-dimethylbenzenesulfonamide
CID 55646194
4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride
CID 119375145
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-4-chloro-N-methylbenzenesulfonamide
CID 4275208
ethyl 1-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperidine-4-carboxylate
CID 23761964
N-methyl-4-methylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 28591462
4-chloro-N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-N-methylbenzenesulfonamide
CID 2228314
4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 55918017
N-methyl-N-[5-(4-phenylpiperazine-1-carbonyl)-3-pyridinyl]benzenesulfonamide
CID 50795474

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide (CID 3119066) is N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide is CN(c1ccc(C(=O)N2CCN(C(=O)c3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)CC2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide?
The InChIKey is SYNTWNGRDUCHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O6S2/c1-33(43(39,40)29-9-5-3-6-10-29)27-17-13-25(14-18-27)31(37)35-21-23-36(24-22-35)32(38)26-15-19-28(20-16-26)34(2)44(41,42)30-11-7-4-8-12-30/h3-20H,21-24H2,1-2H3.
What are the key properties of N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide?
N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide has a molecular weight of 632.76 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 3119066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).