N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]thiophene-2-sulfonamide

C14H14N2O3S2 — CID 110781511

IUPACN-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]thiophene-2-sulfonamide
SMILESCN1C(=O)Cc2cc(CNS(=O)(=O)c3cccs3)ccc21
InChIInChI=1S/C14H14N2O3S2/c1-16-12-5-4-10(7-11(12)8-13(16)17)9-15-21(18,19)14-3-2-6-20-14/h2-7,15H,8-9H2,1H3
InChIKeyJMIQKXXBAZFGHO-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.75
Rot. Bonds4

About N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]thiophene-2-sulfonamide

N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]thiophene-2-sulfonamide (PubChem CID 110781511) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]thiophene-2-sulfonamide
PubChem CID110781511
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC NameN-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]thiophene-2-sulfonamide
SMILESCN1C(=O)Cc2cc(CNS(=O)(=O)c3cccs3)ccc21
InChIInChI=1S/C14H14N2O3S2/c1-16-12-5-4-10(7-11(12)8-13(16)17)9-15-21(18,19)14-3-2-6-20-14/h2-7,15H,8-9H2,1H3
InChIKeyJMIQKXXBAZFGHO-UHFFFAOYSA-N
XLogP1.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methyl]thiophene-2-sulfonamide
CID 138673339
1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]methanesulfonamide
CID 110781518
N-[(4-ethylphenyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110779553
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110781515
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 110730606
5-[(methoxymethylamino)methyl]-1-methyl-3H-indol-2-one
CID 115258520
1-methyl-2-oxo-N-(quinoxalin-6-ylmethyl)-3H-indole-5-sulfonamide
CID 110672337
N-[2-(2-oxo-3H-indol-1-yl)ethyl]thiophene-2-sulfonamide
CID 110730098
N-(1-ethyl-2-oxo-3H-indol-5-yl)thiophene-2-sulfonamide
CID 41342430
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]carbamoyl bromide
CID 115193579
N-[(3-chloro-4-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110780125
N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 65032752

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]thiophene-2-sulfonamide (CID 110781511) is N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]thiophene-2-sulfonamide is CN1C(=O)Cc2cc(CNS(=O)(=O)c3cccs3)ccc21.
What is the InChIKey of N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is JMIQKXXBAZFGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-16-12-5-4-10(7-11(12)8-13(16)17)9-15-21(18,19)14-3-2-6-20-14/h2-7,15H,8-9H2,1H3.
What are the key properties of N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]thiophene-2-sulfonamide?
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 322.41 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110781511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).