1H-indol-2-ylmethanesulfonamide

C9H10N2O2S — CID 54351083

IUPAC1H-indol-2-ylmethanesulfonamide
SMILESNS(=O)(=O)Cc1cc2ccccc2[nH]1
InChIInChI=1S/C9H10N2O2S/c10-14(12,13)6-8-5-7-3-1-2-4-9(7)11-8/h1-5,11H,6H2,(H2,10,12,13)
InChIKeyUFUVPLXTGVZMCN-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.96
Rot. Bonds2

About 1H-indol-2-ylmethanesulfonamide

1H-indol-2-ylmethanesulfonamide (PubChem CID 54351083) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 1H-indol-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1H-indol-2-ylmethanesulfonamide
PubChem CID54351083
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name1H-indol-2-ylmethanesulfonamide
SMILESNS(=O)(=O)Cc1cc2ccccc2[nH]1
InChIInChI=1S/C9H10N2O2S/c10-14(12,13)6-8-5-7-3-1-2-4-9(7)11-8/h1-5,11H,6H2,(H2,10,12,13)
InChIKeyUFUVPLXTGVZMCN-UHFFFAOYSA-N
XLogP0.96
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indol-2-yl)-N,N-dimethylmethanesulfonamide
CID 173052004
2-(1H-indol-2-yl)ethanamine;hydroiodide
CID 175201769
N-[2-(1H-indol-2-yl)ethyl]methanesulfonamide
CID 20598528
2-(2-fluoroethyl)-1H-indole
CID 142633825
1H-indol-2-ylmethyl 2-aminoacetate
CID 67228624
N-(1H-indol-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 102184526
N-(1H-indol-2-ylmethyl)formamide
CID 54534530
1H-indol-2-ylmethylcarbamic acid
CID 68691362
4-(1H-indol-2-yl)butan-2-one
CID 10954278
1-(1H-indol-2-yl)butan-2-amine
CID 54026892
4-(1H-indol-2-yl)-2-methylbutan-2-amine
CID 116995131
2-[2-(4-bromophenyl)ethyl]-1H-indole
CID 144993439

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-ylmethanesulfonamide?
The IUPAC name of 1H-indol-2-ylmethanesulfonamide (CID 54351083) is 1H-indol-2-ylmethanesulfonamide.
What is the SMILES notation for 1H-indol-2-ylmethanesulfonamide?
The canonical SMILES for 1H-indol-2-ylmethanesulfonamide is NS(=O)(=O)Cc1cc2ccccc2[nH]1.
What is the InChIKey of 1H-indol-2-ylmethanesulfonamide?
The InChIKey is UFUVPLXTGVZMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c10-14(12,13)6-8-5-7-3-1-2-4-9(7)11-8/h1-5,11H,6H2,(H2,10,12,13).
What are the key properties of 1H-indol-2-ylmethanesulfonamide?
1H-indol-2-ylmethanesulfonamide has a molecular weight of 210.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-ylmethanesulfonamide is sourced from PubChem (CID 54351083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).