N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-N-(pyridin-3-ylmethyl)benzenesulfinamide

C29H28N4O2S — CID 91089522

IUPACN-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-N-(pyridin-3-ylmethyl)benzenesulfinamide
SMILESO=C(c1ccc(N(Cc2cccnc2)S(=O)c2ccccc2)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C29H28N4O2S/c34-29(32-20-18-31(19-21-32)26-9-3-1-4-10-26)25-13-15-27(16-14-25)33(23-24-8-7-17-30-22-24)36(35)28-11-5-2-6-12-28/h1-17,22H,18-21,23H2
InChIKeyMOMWPMJWXYWSIY-UHFFFAOYSA-N
MW496.64 g/mol
LogP4.77
Rot. Bonds7

About N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-N-(pyridin-3-ylmethyl)benzenesulfinamide

N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-N-(pyridin-3-ylmethyl)benzenesulfinamide (PubChem CID 91089522) has the molecular formula C29H28N4O2S and a molecular weight of 496.64 g/mol. Its IUPAC name is N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-N-(pyridin-3-ylmethyl)benzenesulfinamide.

Molecular Properties

Compound NameN-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-N-(pyridin-3-ylmethyl)benzenesulfinamide
PubChem CID91089522
Molecular FormulaC29H28N4O2S
Molecular Weight496.64 g/mol
Exact Mass496.19
IUPAC NameN-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-N-(pyridin-3-ylmethyl)benzenesulfinamide
SMILESO=C(c1ccc(N(Cc2cccnc2)S(=O)c2ccccc2)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C29H28N4O2S/c34-29(32-20-18-31(19-21-32)26-9-3-1-4-10-26)25-13-15-27(16-14-25)33(23-24-8-7-17-30-22-24)36(35)28-11-5-2-6-12-28/h1-17,22H,18-21,23H2
InChIKeyMOMWPMJWXYWSIY-UHFFFAOYSA-N
XLogP4.77
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.64
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfinamide
CID 91049315
1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110853162
4-[4-(4-benzylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051572
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone
CID 146590919
4-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
CID 43563540
(4-phenylpiperazin-1-yl)-[2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone
CID 109307181
[4-(2-phenylethynyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 38027713
N-[(3-chlorophenyl)methyl]-N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 46180829
3-[(4-fluoro-N-sulfinoanilino)methyl]pyridine
CID 174419300
[5-(diethylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237509
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-N-(pyridin-3-ylmethyl)benzenesulfinamide?
The IUPAC name of N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-N-(pyridin-3-ylmethyl)benzenesulfinamide (CID 91089522) is N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-N-(pyridin-3-ylmethyl)benzenesulfinamide.
What is the SMILES notation for N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-N-(pyridin-3-ylmethyl)benzenesulfinamide?
The canonical SMILES for N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-N-(pyridin-3-ylmethyl)benzenesulfinamide is O=C(c1ccc(N(Cc2cccnc2)S(=O)c2ccccc2)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-N-(pyridin-3-ylmethyl)benzenesulfinamide?
The InChIKey is MOMWPMJWXYWSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2S/c34-29(32-20-18-31(19-21-32)26-9-3-1-4-10-26)25-13-15-27(16-14-25)33(23-24-8-7-17-30-22-24)36(35)28-11-5-2-6-12-28/h1-17,22H,18-21,23H2.
What are the key properties of N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-N-(pyridin-3-ylmethyl)benzenesulfinamide?
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-N-(pyridin-3-ylmethyl)benzenesulfinamide has a molecular weight of 496.64 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-N-(pyridin-3-ylmethyl)benzenesulfinamide is sourced from PubChem (CID 91089522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).