N-(1H-indol-6-yl)butane-1-sulfonamide

C12H16N2O2S — CID 110730847

IUPACN-(1H-indol-6-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C12H16N2O2S/c1-2-3-8-17(15,16)14-11-5-4-10-6-7-13-12(10)9-11/h4-7,9,13-14H,2-3,8H2,1H3
InChIKeyRFHDNCUTEISWFX-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.71
Rot. Bonds5

About N-(1H-indol-6-yl)butane-1-sulfonamide

N-(1H-indol-6-yl)butane-1-sulfonamide (PubChem CID 110730847) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(1H-indol-6-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1H-indol-6-yl)butane-1-sulfonamide
PubChem CID110730847
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-(1H-indol-6-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C12H16N2O2S/c1-2-3-8-17(15,16)14-11-5-4-10-6-7-13-12(10)9-11/h4-7,9,13-14H,2-3,8H2,1H3
InChIKeyRFHDNCUTEISWFX-UHFFFAOYSA-N
XLogP2.71
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-yl)butane-1-sulfonamide?
The IUPAC name of N-(1H-indol-6-yl)butane-1-sulfonamide (CID 110730847) is N-(1H-indol-6-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(1H-indol-6-yl)butane-1-sulfonamide?
The canonical SMILES for N-(1H-indol-6-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of N-(1H-indol-6-yl)butane-1-sulfonamide?
The InChIKey is RFHDNCUTEISWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-2-3-8-17(15,16)14-11-5-4-10-6-7-13-12(10)9-11/h4-7,9,13-14H,2-3,8H2,1H3.
What are the key properties of N-(1H-indol-6-yl)butane-1-sulfonamide?
N-(1H-indol-6-yl)butane-1-sulfonamide has a molecular weight of 252.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-yl)butane-1-sulfonamide is sourced from PubChem (CID 110730847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).