4-[ethyl(1H-indol-5-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C16H17N3O4S — CID 167885299

IUPAC4-[ethyl(1H-indol-5-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCCN(Cc1ccc2[nH]ccc2c1)S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C16H17N3O4S/c1-2-19(10-11-3-4-14-12(7-11)5-6-17-14)24(22,23)13-8-15(16(20)21)18-9-13/h3-9,17-18H,2,10H2,1H3,(H,20,21)
InChIKeyVGIGZPKJQLCBKX-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.40
Rot. Bonds6

About 4-[ethyl(1H-indol-5-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[ethyl(1H-indol-5-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 167885299) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 4-[ethyl(1H-indol-5-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(1H-indol-5-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID167885299
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name4-[ethyl(1H-indol-5-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCCN(Cc1ccc2[nH]ccc2c1)S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C16H17N3O4S/c1-2-19(10-11-3-4-14-12(7-11)5-6-17-14)24(22,23)13-8-15(16(20)21)18-9-13/h3-9,17-18H,2,10H2,1H3,(H,20,21)
InChIKeyVGIGZPKJQLCBKX-UHFFFAOYSA-N
XLogP2.40
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 60951972
4-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 54997976
4-[ethyl(2-methylbutyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 79477252
(2R)-N-ethyl-N-(1H-indol-5-ylmethyl)-2-methylbutane-1-sulfonamide
CID 124864084
5-(ethylsulfonylmethyl)-1H-indole
CID 67811404
1,3-bis[ethyl(1H-indol-5-ylmethyl)amino]propan-2-ol
CID 166234381
4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 107478999
4-[2-methoxyethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61042051
2-(diethylsulfamoyl)-N-(1H-indol-5-yl)acetamide
CID 71984625
1H-indol-5-ylmethanesulfonamide;sulfuric acid
CID 67052547
methyl 2-(1H-indol-5-yl)acetate
CID 43831379
4-[methyl-[(2-methylphenyl)methyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43578503

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(1H-indol-5-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[ethyl(1H-indol-5-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 167885299) is 4-[ethyl(1H-indol-5-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[ethyl(1H-indol-5-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[ethyl(1H-indol-5-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is CCN(Cc1ccc2[nH]ccc2c1)S(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-[ethyl(1H-indol-5-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is VGIGZPKJQLCBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-2-19(10-11-3-4-14-12(7-11)5-6-17-14)24(22,23)13-8-15(16(20)21)18-9-13/h3-9,17-18H,2,10H2,1H3,(H,20,21).
What are the key properties of 4-[ethyl(1H-indol-5-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[ethyl(1H-indol-5-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 347.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(1H-indol-5-ylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 167885299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).