2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide

C34H32ClF2N5O4S — CID 4173516

IUPAC2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCN(c3ccc(F)cc3)CC2)c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C34H32ClF2N5O4S/c35-30-14-5-24(33(43)41-19-15-39(16-20-41)27-10-6-25(36)7-11-27)23-32(30)47(45,46)38-31-4-2-1-3-29(31)34(44)42-21-17-40(18-22-42)28-12-8-26(37)9-13-28/h1-14,23,38H,15-22H2
InChIKeyWWUAHAYDXNXWPF-UHFFFAOYSA-N
MW680.18 g/mol
LogP5.34
Rot. Bonds7

About 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide

2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide (PubChem CID 4173516) has the molecular formula C34H32ClF2N5O4S and a molecular weight of 680.18 g/mol. Its IUPAC name is 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
PubChem CID4173516
Molecular FormulaC34H32ClF2N5O4S
Molecular Weight680.18 g/mol
Exact Mass679.18
IUPAC Name2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCN(c3ccc(F)cc3)CC2)c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C34H32ClF2N5O4S/c35-30-14-5-24(33(43)41-19-15-39(16-20-41)27-10-6-25(36)7-11-27)23-32(30)47(45,46)38-31-4-2-1-3-29(31)34(44)42-21-17-40(18-22-42)28-12-8-26(37)9-13-28/h1-14,23,38H,15-22H2
InChIKeyWWUAHAYDXNXWPF-UHFFFAOYSA-N
XLogP5.34
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.18
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 3449312
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9081742
2-chloro-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzenesulfonamide
CID 2355911
(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone chloride
CID 53350574
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2450838
2-chloro-N-(2,3-dimethylphenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 5178494
2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 24539688
N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2336130
4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 2989258
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 17217210
4-fluoro-N-[2-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55646336
N-(2-chlorophenyl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 4806668

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide (CID 4173516) is 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide is O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCN(c3ccc(F)cc3)CC2)c1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The InChIKey is WWUAHAYDXNXWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32ClF2N5O4S/c35-30-14-5-24(33(43)41-19-15-39(16-20-41)27-10-6-25(36)7-11-27)23-32(30)47(45,46)38-31-4-2-1-3-29(31)34(44)42-21-17-40(18-22-42)28-12-8-26(37)9-13-28/h1-14,23,38H,15-22H2.
What are the key properties of 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide has a molecular weight of 680.18 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 4173516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).