2-pyrrol-1-ylethyl N-[(4-sulfamoylphenyl)methyl]carbamate

C14H17N3O4S — CID 6733948

IUPAC2-pyrrol-1-ylethyl N-[(4-sulfamoylphenyl)methyl]carbamate
SMILESNS(=O)(=O)c1ccc(CNC(=O)OCCn2cccc2)cc1
InChIInChI=1S/C14H17N3O4S/c15-22(19,20)13-5-3-12(4-6-13)11-16-14(18)21-10-9-17-7-1-2-8-17/h1-8H,9-11H2,(H,16,18)(H2,15,19,20)
InChIKeyHDTAEUCHOUHXST-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.06
Rot. Bonds6

About 2-pyrrol-1-ylethyl N-[(4-sulfamoylphenyl)methyl]carbamate

2-pyrrol-1-ylethyl N-[(4-sulfamoylphenyl)methyl]carbamate (PubChem CID 6733948) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-pyrrol-1-ylethyl N-[(4-sulfamoylphenyl)methyl]carbamate.

Molecular Properties

Compound Name2-pyrrol-1-ylethyl N-[(4-sulfamoylphenyl)methyl]carbamate
PubChem CID6733948
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name2-pyrrol-1-ylethyl N-[(4-sulfamoylphenyl)methyl]carbamate
SMILESNS(=O)(=O)c1ccc(CNC(=O)OCCn2cccc2)cc1
InChIInChI=1S/C14H17N3O4S/c15-22(19,20)13-5-3-12(4-6-13)11-16-14(18)21-10-9-17-7-1-2-8-17/h1-8H,9-11H2,(H,16,18)(H2,15,19,20)
InChIKeyHDTAEUCHOUHXST-UHFFFAOYSA-N
XLogP1.06
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
6-(dimethylamino)hexyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 6736715
2-hydroxyethyl N-[(3-sulfamoylphenyl)methyl]carbamate
CID 79349048
2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 110688566
1-(4-pyrrol-1-ylphenyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 108886735
N-(2-piperazin-1-ylethyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108517755
2,2-dichloro-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 4557317
1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233
2-(prop-2-ynylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 78909532
3-ethoxy-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60703250
non-2-ynyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 6735198
2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1150876

Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-ylethyl N-[(4-sulfamoylphenyl)methyl]carbamate?
The IUPAC name of 2-pyrrol-1-ylethyl N-[(4-sulfamoylphenyl)methyl]carbamate (CID 6733948) is 2-pyrrol-1-ylethyl N-[(4-sulfamoylphenyl)methyl]carbamate.
What is the SMILES notation for 2-pyrrol-1-ylethyl N-[(4-sulfamoylphenyl)methyl]carbamate?
The canonical SMILES for 2-pyrrol-1-ylethyl N-[(4-sulfamoylphenyl)methyl]carbamate is NS(=O)(=O)c1ccc(CNC(=O)OCCn2cccc2)cc1.
What is the InChIKey of 2-pyrrol-1-ylethyl N-[(4-sulfamoylphenyl)methyl]carbamate?
The InChIKey is HDTAEUCHOUHXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c15-22(19,20)13-5-3-12(4-6-13)11-16-14(18)21-10-9-17-7-1-2-8-17/h1-8H,9-11H2,(H,16,18)(H2,15,19,20).
What are the key properties of 2-pyrrol-1-ylethyl N-[(4-sulfamoylphenyl)methyl]carbamate?
2-pyrrol-1-ylethyl N-[(4-sulfamoylphenyl)methyl]carbamate has a molecular weight of 323.37 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-ylethyl N-[(4-sulfamoylphenyl)methyl]carbamate is sourced from PubChem (CID 6733948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).