N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide

C27H29N3O3S — CID 25359632

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
SMILESCN(C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)[C@H]1CCc2ccccc21
InChIInChI=1S/C27H29N3O3S/c1-28(26-15-14-21-8-5-6-13-25(21)26)27(31)22-9-7-12-24(20-22)34(32,33)30-18-16-29(17-19-30)23-10-3-2-4-11-23/h2-13,20,26H,14-19H2,1H3/t26-/m0/s1
InChIKeyAPDCGHFKJWICOC-SANMLTNESA-N
MW475.61 g/mol
LogP3.96
Rot. Bonds5

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 25359632) has the molecular formula C27H29N3O3S and a molecular weight of 475.61 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
PubChem CID25359632
Molecular FormulaC27H29N3O3S
Molecular Weight475.61 g/mol
Exact Mass475.19
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
SMILESCN(C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)[C@H]1CCc2ccccc21
InChIInChI=1S/C27H29N3O3S/c1-28(26-15-14-21-8-5-6-13-25(21)26)27(31)22-9-7-12-24(20-22)34(32,33)30-18-16-29(17-19-30)23-10-3-2-4-11-23/h2-13,20,26H,14-19H2,1H3/t26-/m0/s1
InChIKeyAPDCGHFKJWICOC-SANMLTNESA-N
XLogP3.96
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 55533364
N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylbenzamide
CID 134053339
N-(1,3-benzoxazol-2-yl)-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 22109026
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 24818370
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone
CID 25392039
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate
CID 16534227
N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17465764
N-[(3-methoxyphenyl)methyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 24687741
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 25163401
N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide
CID 50875377
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 81295054
(4-fluorophenyl) 3-(4-phenylpiperazin-1-yl)sulfonylbenzoate
CID 18230397

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide (CID 25359632) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide is CN(C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)[C@H]1CCc2ccccc21.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is APDCGHFKJWICOC-SANMLTNESA-N. The full InChI is InChI=1S/C27H29N3O3S/c1-28(26-15-14-21-8-5-6-13-25(21)26)27(31)22-9-7-12-24(20-22)34(32,33)30-18-16-29(17-19-30)23-10-3-2-4-11-23/h2-13,20,26H,14-19H2,1H3/t26-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 475.61 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 25359632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).