N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-2-sulfonamide

C15H16N2O3S2 — CID 71788683

IUPACN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCn1cc(C(O)CNS(=O)(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C15H16N2O3S2/c1-17-10-12(11-5-2-3-6-13(11)17)14(18)9-16-22(19,20)15-7-4-8-21-15/h2-8,10,14,16,18H,9H2,1H3
InChIKeyKMNXQAFFQISGPL-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.25
Rot. Bonds5

About N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-2-sulfonamide

N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 71788683) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-2-sulfonamide
PubChem CID71788683
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC NameN-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCn1cc(C(O)CNS(=O)(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C15H16N2O3S2/c1-17-10-12(11-5-2-3-6-13(11)17)14(18)9-16-22(19,20)15-7-4-8-21-15/h2-8,10,14,16,18H,9H2,1H3
InChIKeyKMNXQAFFQISGPL-UHFFFAOYSA-N
XLogP2.25
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methanesulfonic acid 3-(2-{(R)-(R)-2-hydroxy-2-[3-(thiophene-2-sulfonylamino)-phenyl]-ethylamino}-propyl)-1H-indol-7-yl ester
CID 11432806
Propane-2-sulfonic acid 3-(2-{(R)-(R)-2-hydroxy-2-[3-(thiophene-2-sulfonylamino)-phenyl]-ethylamino}-propyl)-1H-indol-7-yl ester
CID 44396513
N-[3-[(1R)-1-hydroxy-2-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]ethyl]phenyl]thiophene-2-sulfonamide
CID 44396532
N-(2-hydroxy-2-phenylethyl)-5-(2-pyridinyl)-2-thiophenesulfonamide
CID 2812777
5-bromo-N-[3-[(1R)-1-hydroxy-2-[2-(7-methylsulfonyl-1H-indol-3-yl)ethylamino]ethyl]phenyl]thiophene-2-sulfonamide
CID 44396574
N-[3-[(1R)-1-hydroxy-2-[2-(7-methyl-1H-indol-3-yl)ethylamino]ethyl]phenyl]thiophene-2-sulfonamide
CID 44396616
Methanesulfonic acid 3-(2-{2-hydroxy-2-[(R)-3-(thiophene-2-sulfonylamino)-phenyl]-ethylamino}-ethyl)-1H-indol-7-yl ester
CID 44396659
N-[3-[(1R)-1-hydroxy-2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]thiophene-2-sulfonamide
CID 44396678
N-[3-[(1R)-1-hydroxy-2-[2-(7-methylsulfonyl-1H-indol-3-yl)ethylamino]ethyl]phenyl]ethanesulfonamide
CID 44396681
[4-(hydroxymethyl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanol
CID 168281419
(R)-2-(o-fluorophenylsulfonylamino)-1-(1-methyl-3-indolyl)-1-ethanol
CID 97414078
2-(dimethylamino)-1-(5-thiophen-3-yl-1H-indol-3-yl)ethanol
CID 19078388

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-2-sulfonamide (CID 71788683) is N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-2-sulfonamide is Cn1cc(C(O)CNS(=O)(=O)c2cccs2)c2ccccc21.
What is the InChIKey of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is KMNXQAFFQISGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-17-10-12(11-5-2-3-6-13(11)17)14(18)9-16-22(19,20)15-7-4-8-21-15/h2-8,10,14,16,18H,9H2,1H3.
What are the key properties of N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-2-sulfonamide?
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 336.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71788683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).