3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C27H29N3O3S — CID 3610813

IUPAC3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(NC1CCCc2ccccc21)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C27H29N3O3S/c31-27(28-26-15-7-9-21-8-4-5-14-25(21)26)22-10-6-13-24(20-22)34(32,33)30-18-16-29(17-19-30)23-11-2-1-3-12-23/h1-6,8,10-14,20,26H,7,9,15-19H2,(H,28,31)
InChIKeyJEXBCUDDEDTSGW-UHFFFAOYSA-N
MW475.61 g/mol
LogP4.00
Rot. Bonds5

About 3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 3610813) has the molecular formula C27H29N3O3S and a molecular weight of 475.61 g/mol. Its IUPAC name is 3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID3610813
Molecular FormulaC27H29N3O3S
Molecular Weight475.61 g/mol
Exact Mass475.19
IUPAC Name3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESO=C(NC1CCCc2ccccc21)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C27H29N3O3S/c31-27(28-26-15-7-9-21-8-4-5-14-25(21)26)22-10-6-13-24(20-22)34(32,33)30-18-16-29(17-19-30)23-11-2-1-3-12-23/h1-6,8,10-14,20,26H,7,9,15-19H2,(H,28,31)
InChIKeyJEXBCUDDEDTSGW-UHFFFAOYSA-N
XLogP4.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{4-[(benzylamino)sulfonyl]-1-naphthyl}benzamide
CID 11270007
2-methyl-N-{4-[({1-[(2S)-pyrrolidin-2-ylcarbonyl]piperidin-4-yl}amino)sulfonyl]-1-naphthyl}benzamide
CID 10006907
4-(4-Benzoylamino-naphthalene-1-sulfonylamino)-piperidine-1-carboxylic acid ethyl ester
CID 10367938
N-(4-{[(1-butyrylpiperidin-4-yl)amino]sulfonyl}-1-naphthyl)-2-methylbenzamide
CID 10391001
4-[4-(2-Methyl-benzoylamino)-naphthalene-1-sulfonylamino]-piperidine-1-carboxylic acid methylamide
CID 11754900
1H-Benzo[cd]indol-2-one, 1-ethyl-6-(piperazine-1-sulfonyl)-
CID 741724
N,N-diethyl-6-oxo-5,6-dihydrophenanthridine-2-sulfonamide
CID 6324455
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 2279440
N-[4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]-1,4-dioxonaphthalen-2-yl]sulfamoyl]phenyl]acetamide
CID 4261850
N-(4-phenylsulfamoyl-naphthalen-1-yl)-benzamide
CID 11774008
N-benzyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 2315073

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 3610813) is 3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is O=C(NC1CCCc2ccccc21)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is JEXBCUDDEDTSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3S/c31-27(28-26-15-7-9-21-8-4-5-14-25(21)26)22-10-6-13-24(20-22)34(32,33)30-18-16-29(17-19-30)23-11-2-1-3-12-23/h1-6,8,10-14,20,26H,7,9,15-19H2,(H,28,31).
What are the key properties of 3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 475.61 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylpiperazin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 3610813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).