N-benzyl-4-chloro-N-(2-chlorophenyl)-3-[3-(1H-indol-2-yl)piperidine-1-carbonyl]benzenesulfonamide

C33H29Cl2N3O3S — CID 166352880

IUPACN-benzyl-4-chloro-N-(2-chlorophenyl)-3-[3-(1H-indol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)ccc1Cl)N1CCCC(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C33H29Cl2N3O3S/c34-28-17-16-26(42(40,41)38(21-23-9-2-1-3-10-23)32-15-7-5-13-29(32)35)20-27(28)33(39)37-18-8-12-25(22-37)31-19-24-11-4-6-14-30(24)36-31/h1-7,9-11,13-17,19-20,25,36H,8,12,18,21-22H2
InChIKeyNFQTXNHLHLPKKJ-UHFFFAOYSA-N
MW618.59 g/mol
LogP7.89
Rot. Bonds7

About N-benzyl-4-chloro-N-(2-chlorophenyl)-3-[3-(1H-indol-2-yl)piperidine-1-carbonyl]benzenesulfonamide

N-benzyl-4-chloro-N-(2-chlorophenyl)-3-[3-(1H-indol-2-yl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 166352880) has the molecular formula C33H29Cl2N3O3S and a molecular weight of 618.59 g/mol. Its IUPAC name is N-benzyl-4-chloro-N-(2-chlorophenyl)-3-[3-(1H-indol-2-yl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-N-(2-chlorophenyl)-3-[3-(1H-indol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID166352880
Molecular FormulaC33H29Cl2N3O3S
Molecular Weight618.59 g/mol
Exact Mass617.13
IUPAC NameN-benzyl-4-chloro-N-(2-chlorophenyl)-3-[3-(1H-indol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)ccc1Cl)N1CCCC(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C33H29Cl2N3O3S/c34-28-17-16-26(42(40,41)38(21-23-9-2-1-3-10-23)32-15-7-5-13-29(32)35)20-27(28)33(39)37-18-8-12-25(22-37)31-19-24-11-4-6-14-30(24)36-31/h1-7,9-11,13-17,19-20,25,36H,8,12,18,21-22H2
InChIKeyNFQTXNHLHLPKKJ-UHFFFAOYSA-N
XLogP7.89
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.59
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-chloro-N-(2-chlorophenyl)-3-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)benzenesulfonamide
CID 166346484
N-benzyl-4-chloro-N-(2-chlorophenyl)-3-(7-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide
CID 166353479
2-[2-[(3R)-3-(1H-indol-2-yl)piperidine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide
CID 51957087
N-benzyl-N-(2-chlorophenyl)-3-(4-oxopiperidine-1-carbonyl)benzenesulfonamide
CID 17438653
1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 113088531
2-(4-fluorophenyl)-1-[3-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088564
N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-5-[benzyl-(2-chlorophenyl)sulfamoyl]-2-chlorobenzamide
CID 166346468
N-benzyl-4-chloro-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 24540046
1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one
CID 113088532
(3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088558
2-[1-(benzenesulfonyl)piperidin-3-yl]-1H-indole
CID 113088605
1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-phenylpiperidine-3-carboxamide
CID 42924913

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-N-(2-chlorophenyl)-3-[3-(1H-indol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-chloro-N-(2-chlorophenyl)-3-[3-(1H-indol-2-yl)piperidine-1-carbonyl]benzenesulfonamide (CID 166352880) is N-benzyl-4-chloro-N-(2-chlorophenyl)-3-[3-(1H-indol-2-yl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-chloro-N-(2-chlorophenyl)-3-[3-(1H-indol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-chloro-N-(2-chlorophenyl)-3-[3-(1H-indol-2-yl)piperidine-1-carbonyl]benzenesulfonamide is O=C(c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)ccc1Cl)N1CCCC(c2cc3ccccc3[nH]2)C1.
What is the InChIKey of N-benzyl-4-chloro-N-(2-chlorophenyl)-3-[3-(1H-indol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is NFQTXNHLHLPKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29Cl2N3O3S/c34-28-17-16-26(42(40,41)38(21-23-9-2-1-3-10-23)32-15-7-5-13-29(32)35)20-27(28)33(39)37-18-8-12-25(22-37)31-19-24-11-4-6-14-30(24)36-31/h1-7,9-11,13-17,19-20,25,36H,8,12,18,21-22H2.
What are the key properties of N-benzyl-4-chloro-N-(2-chlorophenyl)-3-[3-(1H-indol-2-yl)piperidine-1-carbonyl]benzenesulfonamide?
N-benzyl-4-chloro-N-(2-chlorophenyl)-3-[3-(1H-indol-2-yl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 618.59 g/mol, XLogP of 7.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-N-(2-chlorophenyl)-3-[3-(1H-indol-2-yl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 166352880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).