[3-(benzenesulfonyl)-5-chloro-1H-indol-2-yl] hydrogen carbonate

C15H10ClNO5S — CID 67803505

IUPAC[3-(benzenesulfonyl)-5-chloro-1H-indol-2-yl] hydrogen carbonate
SMILESO=C(O)Oc1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H10ClNO5S/c16-9-6-7-12-11(8-9)13(14(17-12)22-15(18)19)23(20,21)10-4-2-1-3-5-10/h1-8,17H,(H,18,19)
InChIKeyOHEMSBLIPJIVLJ-UHFFFAOYSA-N
MW351.77 g/mol
LogP3.71
Rot. Bonds3

About [3-(benzenesulfonyl)-5-chloro-1H-indol-2-yl] hydrogen carbonate

[3-(benzenesulfonyl)-5-chloro-1H-indol-2-yl] hydrogen carbonate (PubChem CID 67803505) has the molecular formula C15H10ClNO5S and a molecular weight of 351.77 g/mol. Its IUPAC name is [3-(benzenesulfonyl)-5-chloro-1H-indol-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[3-(benzenesulfonyl)-5-chloro-1H-indol-2-yl] hydrogen carbonate
PubChem CID67803505
Molecular FormulaC15H10ClNO5S
Molecular Weight351.77 g/mol
Exact Mass351.00
IUPAC Name[3-(benzenesulfonyl)-5-chloro-1H-indol-2-yl] hydrogen carbonate
SMILESO=C(O)Oc1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H10ClNO5S/c16-9-6-7-12-11(8-9)13(14(17-12)22-15(18)19)23(20,21)10-4-2-1-3-5-10/h1-8,17H,(H,18,19)
InChIKeyOHEMSBLIPJIVLJ-UHFFFAOYSA-N
XLogP3.71
TPSA96.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.77
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-5-chloro-1H-indol-2-amine
CID 68657749
5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide
CID 506869
N-(benzenesulfonyl)-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 155565781
3-(benzenesulfonyl)-5-chloro-1H-indole
CID 54518523
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-ol
CID 70947557
3-[2-(benzenesulfonyl)-5-chloro-1H-indol-3-yl]-2-methylpropan-1-ol
CID 69347334
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide
CID 51353994
(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl) acetate
CID 174726646
[5-[(4-tert-butylphenyl)sulfonylamino]-3-(2-chlorophenyl)-1H-indol-2-yl] hydrogen carbonate
CID 68851500
5-chloro-3-(3-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 22401464
3-(benzenesulfonyl)-1-deuterio-2-methoxyindole
CID 88623042
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 90676827

Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonyl)-5-chloro-1H-indol-2-yl] hydrogen carbonate?
The IUPAC name of [3-(benzenesulfonyl)-5-chloro-1H-indol-2-yl] hydrogen carbonate (CID 67803505) is [3-(benzenesulfonyl)-5-chloro-1H-indol-2-yl] hydrogen carbonate.
What is the SMILES notation for [3-(benzenesulfonyl)-5-chloro-1H-indol-2-yl] hydrogen carbonate?
The canonical SMILES for [3-(benzenesulfonyl)-5-chloro-1H-indol-2-yl] hydrogen carbonate is O=C(O)Oc1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of [3-(benzenesulfonyl)-5-chloro-1H-indol-2-yl] hydrogen carbonate?
The InChIKey is OHEMSBLIPJIVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO5S/c16-9-6-7-12-11(8-9)13(14(17-12)22-15(18)19)23(20,21)10-4-2-1-3-5-10/h1-8,17H,(H,18,19).
What are the key properties of [3-(benzenesulfonyl)-5-chloro-1H-indol-2-yl] hydrogen carbonate?
[3-(benzenesulfonyl)-5-chloro-1H-indol-2-yl] hydrogen carbonate has a molecular weight of 351.77 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonyl)-5-chloro-1H-indol-2-yl] hydrogen carbonate is sourced from PubChem (CID 67803505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).