4-phenoxy-N-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]benzenesulfonamide

C30H28N6O3S — CID 11960148

IUPAC4-phenoxy-N-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nccnc1N1CCN(Cc2ccc3ccccc3n2)CC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C30H28N6O3S/c37-40(38,27-14-12-26(13-15-27)39-25-7-2-1-3-8-25)34-29-30(32-17-16-31-29)36-20-18-35(19-21-36)22-24-11-10-23-6-4-5-9-28(23)33-24/h1-17H,18-22H2,(H,31,34)
InChIKeyZGNFSQOWZVCFES-UHFFFAOYSA-N
MW552.66 g/mol
LogP4.94
Rot. Bonds8

About 4-phenoxy-N-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]benzenesulfonamide

4-phenoxy-N-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]benzenesulfonamide (PubChem CID 11960148) has the molecular formula C30H28N6O3S and a molecular weight of 552.66 g/mol. Its IUPAC name is 4-phenoxy-N-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-phenoxy-N-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]benzenesulfonamide
PubChem CID11960148
Molecular FormulaC30H28N6O3S
Molecular Weight552.66 g/mol
Exact Mass552.19
IUPAC Name4-phenoxy-N-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nccnc1N1CCN(Cc2ccc3ccccc3n2)CC1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C30H28N6O3S/c37-40(38,27-14-12-26(13-15-27)39-25-7-2-1-3-8-25)34-29-30(32-17-16-31-29)36-20-18-35(19-21-36)22-24-11-10-23-6-4-5-9-28(23)33-24/h1-17H,18-22H2,(H,31,34)
InChIKeyZGNFSQOWZVCFES-UHFFFAOYSA-N
XLogP4.94
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.66
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-{[4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxypyridin-2-yl]amino}benzenesulfonamide
CID 25192275
N2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10275985
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine
CID 58149816
N-[5-[2-amino-3-(4-morpholinophenyl)-6-quinolyl]-2-methoxy-3-pyridyl]-2,4-difluoro-benzenesulfonamide
CID 66806967
1-(3-Methoxyphenyl)sulfonyl-4-piperazin-1-ylpyrrolo[3,2-c]quinoline
CID 90469185
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 118321322
4-[8-Morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide
CID 123133248
2-[4-(2-Methoxyphenyl)piperazin-1-YL]-6-(piperidine-1-sulfonyl)quinoline
CID 16024730
5-[3-[4-[3-(4-Methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]sulfonylphenyl]pyrimidin-2-amine
CID 60155375
N-[5-(2-amino-3-phenyl-1,7-naphthyridin-6-yl)-2-methoxy-3-pyridyl]-2,4-difluoro-benzenesulfonamide
CID 76336173
4-ethoxy-N-(3-quinolinyl)benzenesulfonamide
CID 2933345
2-[4-(4-Methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylquinoline-3-carbonitrile
CID 3214072

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 4-phenoxy-N-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]benzenesulfonamide (CID 11960148) is 4-phenoxy-N-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-phenoxy-N-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 4-phenoxy-N-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]benzenesulfonamide is O=S(=O)(Nc1nccnc1N1CCN(Cc2ccc3ccccc3n2)CC1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxy-N-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]benzenesulfonamide?
The InChIKey is ZGNFSQOWZVCFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O3S/c37-40(38,27-14-12-26(13-15-27)39-25-7-2-1-3-8-25)34-29-30(32-17-16-31-29)36-20-18-35(19-21-36)22-24-11-10-23-6-4-5-9-28(23)33-24/h1-17H,18-22H2,(H,31,34).
What are the key properties of 4-phenoxy-N-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]benzenesulfonamide?
4-phenoxy-N-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]benzenesulfonamide has a molecular weight of 552.66 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[3-[4-(quinolin-2-ylmethyl)piperazin-1-yl]pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 11960148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).