N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide

C25H31N5O3S — CID 167001565

IUPACN-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
SMILESCn1cc(C(CNS(=O)(=O)c2ccc3cc[nH]c3c2)N2CCN(CCO)CC2)c2ccccc21
InChIInChI=1S/C25H31N5O3S/c1-28-18-22(21-4-2-3-5-24(21)28)25(30-12-10-29(11-13-30)14-15-31)17-27-34(32,33)20-7-6-19-8-9-26-23(19)16-20/h2-9,16,18,25-27,31H,10-15,17H2,1H3
InChIKeyCRLLRXSFWPXEFS-UHFFFAOYSA-N
MW481.62 g/mol
LogP2.29
Rot. Bonds8

About N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide

N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide (PubChem CID 167001565) has the molecular formula C25H31N5O3S and a molecular weight of 481.62 g/mol. Its IUPAC name is N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
PubChem CID167001565
Molecular FormulaC25H31N5O3S
Molecular Weight481.62 g/mol
Exact Mass481.21
IUPAC NameN-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide
SMILESCn1cc(C(CNS(=O)(=O)c2ccc3cc[nH]c3c2)N2CCN(CCO)CC2)c2ccccc21
InChIInChI=1S/C25H31N5O3S/c1-28-18-22(21-4-2-3-5-24(21)28)25(30-12-10-29(11-13-30)14-15-31)17-27-34(32,33)20-7-6-19-8-9-26-23(19)16-20/h2-9,16,18,25-27,31H,10-15,17H2,1H3
InChIKeyCRLLRXSFWPXEFS-UHFFFAOYSA-N
XLogP2.29
TPSA93.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide?
The IUPAC name of N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide (CID 167001565) is N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide.
What is the SMILES notation for N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide?
The canonical SMILES for N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide is Cn1cc(C(CNS(=O)(=O)c2ccc3cc[nH]c3c2)N2CCN(CCO)CC2)c2ccccc21.
What is the InChIKey of N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide?
The InChIKey is CRLLRXSFWPXEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3S/c1-28-18-22(21-4-2-3-5-24(21)28)25(30-12-10-29(11-13-30)14-15-31)17-27-34(32,33)20-7-6-19-8-9-26-23(19)16-20/h2-9,16,18,25-27,31H,10-15,17H2,1H3.
What are the key properties of N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide?
N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide has a molecular weight of 481.62 g/mol, XLogP of 2.29, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethyl]-1H-indole-6-sulfonamide is sourced from PubChem (CID 167001565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).