N-[2-[2-(5-chloro-1H-indol-3-yl)propan-2-yl]phenyl]-4-(3-piperazin-1-ylpropoxy)benzenesulfonamide

C30H35ClN4O3S — CID 156806796

IUPACN-[2-[2-(5-chloro-1H-indol-3-yl)propan-2-yl]phenyl]-4-(3-piperazin-1-ylpropoxy)benzenesulfonamide
SMILESCC(C)(c1ccccc1NS(=O)(=O)c1ccc(OCCCN2CCNCC2)cc1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C30H35ClN4O3S/c1-30(2,27-21-33-28-13-8-22(31)20-25(27)28)26-6-3-4-7-29(26)34-39(36,37)24-11-9-23(10-12-24)38-19-5-16-35-17-14-32-15-18-35/h3-4,6-13,20-21,32-34H,5,14-19H2,1-2H3
InChIKeyLCPVKJJOASXHCO-UHFFFAOYSA-N
MW567.16 g/mol
LogP5.62
Rot. Bonds10

About N-[2-[2-(5-chloro-1H-indol-3-yl)propan-2-yl]phenyl]-4-(3-piperazin-1-ylpropoxy)benzenesulfonamide

N-[2-[2-(5-chloro-1H-indol-3-yl)propan-2-yl]phenyl]-4-(3-piperazin-1-ylpropoxy)benzenesulfonamide (PubChem CID 156806796) has the molecular formula C30H35ClN4O3S and a molecular weight of 567.16 g/mol. Its IUPAC name is N-[2-[2-(5-chloro-1H-indol-3-yl)propan-2-yl]phenyl]-4-(3-piperazin-1-ylpropoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(5-chloro-1H-indol-3-yl)propan-2-yl]phenyl]-4-(3-piperazin-1-ylpropoxy)benzenesulfonamide
PubChem CID156806796
Molecular FormulaC30H35ClN4O3S
Molecular Weight567.16 g/mol
Exact Mass566.21
IUPAC NameN-[2-[2-(5-chloro-1H-indol-3-yl)propan-2-yl]phenyl]-4-(3-piperazin-1-ylpropoxy)benzenesulfonamide
SMILESCC(C)(c1ccccc1NS(=O)(=O)c1ccc(OCCCN2CCNCC2)cc1)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C30H35ClN4O3S/c1-30(2,27-21-33-28-13-8-22(31)20-25(27)28)26-6-3-4-7-29(26)34-39(36,37)24-11-9-23(10-12-24)38-19-5-16-35-17-14-32-15-18-35/h3-4,6-13,20-21,32-34H,5,14-19H2,1-2H3
InChIKeyLCPVKJJOASXHCO-UHFFFAOYSA-N
XLogP5.62
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.16
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide
CID 156806832
N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]naphthalene-1-sulfonamide
CID 156806854
N-[3-(5-methyl-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide
CID 156806673
1-(3-phenoxypropyl)piperazine
CID 2760351
4-chloro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43443247
N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-4-butoxybenzenesulfonamide;hydrochloride
CID 22272453
1-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]piperazine
CID 2195083
N-[2-[[2-[3-(azetidin-1-yl)propoxy]phenyl]methyl]-4-chlorophenyl]benzenesulfonamide;hydrochloride
CID 174454038
5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277469
N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-4-fluorobenzenesulfonamide
CID 113084321
N-(2-tert-butylphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 18354562
1-[3-(2-tert-butylphenoxy)propyl]piperazine
CID 2194690

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-chloro-1H-indol-3-yl)propan-2-yl]phenyl]-4-(3-piperazin-1-ylpropoxy)benzenesulfonamide?
The IUPAC name of N-[2-[2-(5-chloro-1H-indol-3-yl)propan-2-yl]phenyl]-4-(3-piperazin-1-ylpropoxy)benzenesulfonamide (CID 156806796) is N-[2-[2-(5-chloro-1H-indol-3-yl)propan-2-yl]phenyl]-4-(3-piperazin-1-ylpropoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-[2-(5-chloro-1H-indol-3-yl)propan-2-yl]phenyl]-4-(3-piperazin-1-ylpropoxy)benzenesulfonamide?
The canonical SMILES for N-[2-[2-(5-chloro-1H-indol-3-yl)propan-2-yl]phenyl]-4-(3-piperazin-1-ylpropoxy)benzenesulfonamide is CC(C)(c1ccccc1NS(=O)(=O)c1ccc(OCCCN2CCNCC2)cc1)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[2-[2-(5-chloro-1H-indol-3-yl)propan-2-yl]phenyl]-4-(3-piperazin-1-ylpropoxy)benzenesulfonamide?
The InChIKey is LCPVKJJOASXHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN4O3S/c1-30(2,27-21-33-28-13-8-22(31)20-25(27)28)26-6-3-4-7-29(26)34-39(36,37)24-11-9-23(10-12-24)38-19-5-16-35-17-14-32-15-18-35/h3-4,6-13,20-21,32-34H,5,14-19H2,1-2H3.
What are the key properties of N-[2-[2-(5-chloro-1H-indol-3-yl)propan-2-yl]phenyl]-4-(3-piperazin-1-ylpropoxy)benzenesulfonamide?
N-[2-[2-(5-chloro-1H-indol-3-yl)propan-2-yl]phenyl]-4-(3-piperazin-1-ylpropoxy)benzenesulfonamide has a molecular weight of 567.16 g/mol, XLogP of 5.62, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5-chloro-1H-indol-3-yl)propan-2-yl]phenyl]-4-(3-piperazin-1-ylpropoxy)benzenesulfonamide is sourced from PubChem (CID 156806796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).