4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide

C23H22ClN3O3S — CID 2989258

IUPAC4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H22ClN3O3S/c24-18-10-12-20(13-11-18)31(29,30)25-22-9-5-4-8-21(22)23(28)27-16-14-26(15-17-27)19-6-2-1-3-7-19/h1-13,25H,14-17H2
InChIKeyZTPHQWNYMYQUTB-UHFFFAOYSA-N
MW455.97 g/mol
LogP4.10
Rot. Bonds5

About 4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide

4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 2989258) has the molecular formula C23H22ClN3O3S and a molecular weight of 455.97 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID2989258
Molecular FormulaC23H22ClN3O3S
Molecular Weight455.97 g/mol
Exact Mass455.11
IUPAC Name4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H22ClN3O3S/c24-18-10-12-20(13-11-18)31(29,30)25-22-9-5-4-8-21(22)23(28)27-16-14-26(15-17-27)19-6-2-1-3-7-19/h1-13,25H,14-17H2
InChIKeyZTPHQWNYMYQUTB-UHFFFAOYSA-N
XLogP4.10
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.97
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 39556509
N-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide
CID 2967350
4-chloro-N-[2-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 46564162
2-nitro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 17256523
N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2336130
4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 28633685
4-fluoro-N-[2-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55646336
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide
CID 173255445
N-(2-chlorophenyl)-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 4806668
(E)-4-[2-[4-(4-chlorophenyl)piperazine-1-carbonyl]anilino]-4-oxobut-2-enoic acid
CID 982181
N-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide
CID 43981707
3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 17192294

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide (CID 2989258) is 4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide is O=C(c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is ZTPHQWNYMYQUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3S/c24-18-10-12-20(13-11-18)31(29,30)25-22-9-5-4-8-21(22)23(28)27-16-14-26(15-17-27)19-6-2-1-3-7-19/h1-13,25H,14-17H2.
What are the key properties of 4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide?
4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 455.97 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2989258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).