1H-indol-5-ylmethanesulfonamide;sulfuric acid

C9H12N2O6S2 — CID 67052547

IUPAC1H-indol-5-ylmethanesulfonamide;sulfuric acid
SMILESNS(=O)(=O)Cc1ccc2[nH]ccc2c1.O=S(=O)(O)O
InChIInChI=1S/C9H10N2O2S.H2O4S/c10-14(12,13)6-7-1-2-9-8(5-7)3-4-11-9;1-5(2,3)4/h1-5,11H,6H2,(H2,10,12,13);(H2,1,2,3,4)
InChIKeyJMLUWMNMYIVVPD-UHFFFAOYSA-N
MW308.34 g/mol
LogP0.30
Rot. Bonds2

About 1H-indol-5-ylmethanesulfonamide;sulfuric acid

1H-indol-5-ylmethanesulfonamide;sulfuric acid (PubChem CID 67052547) has the molecular formula C9H12N2O6S2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1H-indol-5-ylmethanesulfonamide;sulfuric acid.

Molecular Properties

Compound Name1H-indol-5-ylmethanesulfonamide;sulfuric acid
PubChem CID67052547
Molecular FormulaC9H12N2O6S2
Molecular Weight308.34 g/mol
Exact Mass308.01
IUPAC Name1H-indol-5-ylmethanesulfonamide;sulfuric acid
SMILESNS(=O)(=O)Cc1ccc2[nH]ccc2c1.O=S(=O)(O)O
InChIInChI=1S/C9H10N2O2S.H2O4S/c10-14(12,13)6-7-1-2-9-8(5-7)3-4-11-9;1-5(2,3)4/h1-5,11H,6H2,(H2,10,12,13);(H2,1,2,3,4)
InChIKeyJMLUWMNMYIVVPD-UHFFFAOYSA-N
XLogP0.30
TPSA150.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 50.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

5-(ethylsulfonylmethyl)-1H-indole
CID 67811404
1-(1H-indol-5-yl)-2-methylpropan-2-ol
CID 117119070
2-(1H-indol-5-ylmethyl)-1,3,2-dioxazolidine-4,5-dione
CID 140663994
methyl 2-(1H-indol-5-yl)acetate
CID 43831379
ethyl 3-(1H-indol-5-yl)propanoate
CID 73357468
ethyl N-(1H-indol-5-ylmethyl)carbamate
CID 59248610
1-(2-bromophenyl)-2-(1H-indol-5-yl)ethanone
CID 158169595
1-(1H-indol-5-yl)-4-methylpentan-3-one
CID 22572822
2-(1H-indol-5-ylmethoxy)ethanamine
CID 154379316
5-[(4-chlorophenyl)methyl]-1H-indole
CID 22417702
phenyl 2-(1H-indol-5-yl)ethanesulfonate
CID 87692808
3-(1H-indol-5-ylmethyl)benzoic acid
CID 53345393

Frequently Asked Questions

What is the IUPAC name of 1H-indol-5-ylmethanesulfonamide;sulfuric acid?
The IUPAC name of 1H-indol-5-ylmethanesulfonamide;sulfuric acid (CID 67052547) is 1H-indol-5-ylmethanesulfonamide;sulfuric acid.
What is the SMILES notation for 1H-indol-5-ylmethanesulfonamide;sulfuric acid?
The canonical SMILES for 1H-indol-5-ylmethanesulfonamide;sulfuric acid is NS(=O)(=O)Cc1ccc2[nH]ccc2c1.O=S(=O)(O)O.
What is the InChIKey of 1H-indol-5-ylmethanesulfonamide;sulfuric acid?
The InChIKey is JMLUWMNMYIVVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S.H2O4S/c10-14(12,13)6-7-1-2-9-8(5-7)3-4-11-9;1-5(2,3)4/h1-5,11H,6H2,(H2,10,12,13);(H2,1,2,3,4).
What are the key properties of 1H-indol-5-ylmethanesulfonamide;sulfuric acid?
1H-indol-5-ylmethanesulfonamide;sulfuric acid has a molecular weight of 308.34 g/mol, XLogP of 0.30, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-5-ylmethanesulfonamide;sulfuric acid is sourced from PubChem (CID 67052547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).