N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]naphthalene-1-sulfonamide

C29H35ClN4O3S — CID 156806854

IUPACN-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]naphthalene-1-sulfonamide
SMILESCN1CCN(CCCOc2ccc(S(=O)(=O)NCCCc3c[nH]c4ccc(Cl)cc34)c3ccccc23)CC1
InChIInChI=1S/C29H35ClN4O3S/c1-33-15-17-34(18-16-33)14-5-19-37-28-11-12-29(25-8-3-2-7-24(25)28)38(35,36)32-13-4-6-22-21-31-27-10-9-23(30)20-26(22)27/h2-3,7-12,20-21,31-32H,4-6,13-19H2,1H3
InChIKeyXYMVQIVRBXNLSU-UHFFFAOYSA-N
MW555.14 g/mol
LogP4.90
Rot. Bonds11

About N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]naphthalene-1-sulfonamide

N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]naphthalene-1-sulfonamide (PubChem CID 156806854) has the molecular formula C29H35ClN4O3S and a molecular weight of 555.14 g/mol. Its IUPAC name is N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]naphthalene-1-sulfonamide
PubChem CID156806854
Molecular FormulaC29H35ClN4O3S
Molecular Weight555.14 g/mol
Exact Mass554.21
IUPAC NameN-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]naphthalene-1-sulfonamide
SMILESCN1CCN(CCCOc2ccc(S(=O)(=O)NCCCc3c[nH]c4ccc(Cl)cc34)c3ccccc23)CC1
InChIInChI=1S/C29H35ClN4O3S/c1-33-15-17-34(18-16-33)14-5-19-37-28-11-12-29(25-8-3-2-7-24(25)28)38(35,36)32-13-4-6-22-21-31-27-10-9-23(30)20-26(22)27/h2-3,7-12,20-21,31-32H,4-6,13-19H2,1H3
InChIKeyXYMVQIVRBXNLSU-UHFFFAOYSA-N
XLogP4.90
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.14
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[3-(1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide
CID 156806755
N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide
CID 156806832
N-[3-(5-methyl-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]benzenesulfonamide
CID 156806673
3-(5-chloro-1H-indol-3-yl)-N-[4-[4-(4-methylpiperazin-1-yl)butyl]phenyl]sulfanylpropan-1-amine
CID 166658624
N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 156806800
3-(5-chloro-1H-indol-3-yl)-N-[4-[3-(4-chloropiperidin-1-yl)propoxy]phenyl]sulfanylpropan-1-amine
CID 166658512
N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2991494
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113083697
5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 113083673
5-chloro-3-[3-[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperazin-1-yl]propyl]-1H-indole
CID 72547333
N-[3-(5-chloro-1H-indol-3-yl)propyl]-3-(3-piperidin-4-ylpropoxy)benzenesulfonamide
CID 156806720
3-(5-chloro-1H-indol-3-yl)-N-[4-(4-piperidin-1-ylbutyl)phenyl]sulfanylpropan-1-amine
CID 166658492

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]naphthalene-1-sulfonamide?
The IUPAC name of N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]naphthalene-1-sulfonamide (CID 156806854) is N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]naphthalene-1-sulfonamide?
The canonical SMILES for N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]naphthalene-1-sulfonamide is CN1CCN(CCCOc2ccc(S(=O)(=O)NCCCc3c[nH]c4ccc(Cl)cc34)c3ccccc23)CC1.
What is the InChIKey of N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]naphthalene-1-sulfonamide?
The InChIKey is XYMVQIVRBXNLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClN4O3S/c1-33-15-17-34(18-16-33)14-5-19-37-28-11-12-29(25-8-3-2-7-24(25)28)38(35,36)32-13-4-6-22-21-31-27-10-9-23(30)20-26(22)27/h2-3,7-12,20-21,31-32H,4-6,13-19H2,1H3.
What are the key properties of N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]naphthalene-1-sulfonamide?
N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]naphthalene-1-sulfonamide has a molecular weight of 555.14 g/mol, XLogP of 4.90, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]naphthalene-1-sulfonamide is sourced from PubChem (CID 156806854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).