N-[(1S,2S)-1-(4-benzoylpiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide

C26H27N3O3S — CID 32741505

IUPACN-[(1S,2S)-1-(4-benzoylpiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
SMILESO=C(c1ccccc1)N1CCN([C@H]2c3ccccc3C[C@@H]2NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C26H27N3O3S/c30-26(20-9-3-1-4-10-20)29-17-15-28(16-18-29)25-23-14-8-7-11-21(23)19-24(25)27-33(31,32)22-12-5-2-6-13-22/h1-14,24-25,27H,15-19H2/t24-,25-/m0/s1
InChIKeyZOWXTGZZAIGCRX-DQEYMECFSA-N
MW461.59 g/mol
LogP3.09
Rot. Bonds5

About N-[(1S,2S)-1-(4-benzoylpiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide

N-[(1S,2S)-1-(4-benzoylpiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide (PubChem CID 32741505) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is N-[(1S,2S)-1-(4-benzoylpiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-(4-benzoylpiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
PubChem CID32741505
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC NameN-[(1S,2S)-1-(4-benzoylpiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
SMILESO=C(c1ccccc1)N1CCN([C@H]2c3ccccc3C[C@@H]2NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C26H27N3O3S/c30-26(20-9-3-1-4-10-20)29-17-15-28(16-18-29)25-23-14-8-7-11-21(23)19-24(25)27-33(31,32)22-12-5-2-6-13-22/h1-14,24-25,27H,15-19H2/t24-,25-/m0/s1
InChIKeyZOWXTGZZAIGCRX-DQEYMECFSA-N
XLogP3.09
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S,2S)-1-(4-benzoylpiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide with MolForge

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Related Compounds

ethyl 4-[(1R,2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylate
CID 32741528
N-[(1S,2R)-1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
CID 8025258
N-[(1R,2R)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
CID 11920578
N-[(1R,2S)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-1,2-dihydroacenaphthylen-1-yl]benzenesulfonamide
CID 1167688
4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110364713
4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide
CID 146048142
N-[(1S,2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
CID 11920575
N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 23604938
N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 5295909
N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 86958237
[4-(bromomethylsulfonyl)piperazin-1-yl]-phenylmethanone
CID 83093371
N-[1-(3-cyanobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 33161452

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-(4-benzoylpiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide?
The IUPAC name of N-[(1S,2S)-1-(4-benzoylpiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide (CID 32741505) is N-[(1S,2S)-1-(4-benzoylpiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[(1S,2S)-1-(4-benzoylpiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide?
The canonical SMILES for N-[(1S,2S)-1-(4-benzoylpiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide is O=C(c1ccccc1)N1CCN([C@H]2c3ccccc3C[C@@H]2NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[(1S,2S)-1-(4-benzoylpiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide?
The InChIKey is ZOWXTGZZAIGCRX-DQEYMECFSA-N. The full InChI is InChI=1S/C26H27N3O3S/c30-26(20-9-3-1-4-10-20)29-17-15-28(16-18-29)25-23-14-8-7-11-21(23)19-24(25)27-33(31,32)22-12-5-2-6-13-22/h1-14,24-25,27H,15-19H2/t24-,25-/m0/s1.
What are the key properties of N-[(1S,2S)-1-(4-benzoylpiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide?
N-[(1S,2S)-1-(4-benzoylpiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide has a molecular weight of 461.59 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-(4-benzoylpiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide is sourced from PubChem (CID 32741505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).