4-nitro-N-(3-sulfamoylpropyl)-1H-pyrrole-2-carboxamide

C8H12N4O5S — CID 61131829

IUPAC4-nitro-N-(3-sulfamoylpropyl)-1H-pyrrole-2-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C8H12N4O5S/c9-18(16,17)3-1-2-10-8(13)7-4-6(5-11-7)12(14)15/h4-5,11H,1-3H2,(H,10,13)(H2,9,16,17)
InChIKeyHNXOSJACRBLXKZ-UHFFFAOYSA-N
MW276.27 g/mol
LogP-0.67
Rot. Bonds6

About 4-nitro-N-(3-sulfamoylpropyl)-1H-pyrrole-2-carboxamide

4-nitro-N-(3-sulfamoylpropyl)-1H-pyrrole-2-carboxamide (PubChem CID 61131829) has the molecular formula C8H12N4O5S and a molecular weight of 276.27 g/mol. Its IUPAC name is 4-nitro-N-(3-sulfamoylpropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-nitro-N-(3-sulfamoylpropyl)-1H-pyrrole-2-carboxamide
PubChem CID61131829
Molecular FormulaC8H12N4O5S
Molecular Weight276.27 g/mol
Exact Mass276.05
IUPAC Name4-nitro-N-(3-sulfamoylpropyl)-1H-pyrrole-2-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C8H12N4O5S/c9-18(16,17)3-1-2-10-8(13)7-4-6(5-11-7)12(14)15/h4-5,11H,1-3H2,(H,10,13)(H2,9,16,17)
InChIKeyHNXOSJACRBLXKZ-UHFFFAOYSA-N
XLogP-0.67
TPSA148.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-chloroethoxy)propyl]-4-nitro-1H-pyrrole-2-carboxamide
CID 114171349
3-fluoro-5-nitro-N-(3-sulfamoylpropyl)benzamide
CID 78953205
2-methyl-4-[(4-nitro-1H-pyrrole-2-carbonyl)amino]butanoic acid
CID 80538660
2-oxo-N-(3-sulfamoylpropyl)-1,3-dihydroimidazole-4-carboxamide
CID 61131501
N-[2-(4-chlorophenyl)ethyl]-4-nitro-1H-pyrrole-2-carboxamide
CID 9403278
methyl 2-[(4-nitro-1H-pyrrole-2-carbonyl)amino]acetate
CID 43408669
4-nitro-N-(4-sulfamoylphenyl)-1H-pyrrole-2-carboxamide
CID 60674861
N-(2-aminobutyl)-4-nitro-1H-pyrrole-2-carboxamide
CID 63731145
4-nitro-N-(2-piperazin-1-ylethyl)-1H-pyrrole-2-carboxamide
CID 43600166
2-methoxy-4-nitro-N-(3-sulfamoylpropyl)benzamide
CID 104783902
1-(4-nitrophenyl)-3-(3-sulfamoylpropyl)urea
CID 61131418
N-[2-(cycloheptylamino)ethyl]-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride
CID 119619170

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(3-sulfamoylpropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-nitro-N-(3-sulfamoylpropyl)-1H-pyrrole-2-carboxamide (CID 61131829) is 4-nitro-N-(3-sulfamoylpropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-nitro-N-(3-sulfamoylpropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-nitro-N-(3-sulfamoylpropyl)-1H-pyrrole-2-carboxamide is NS(=O)(=O)CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1.
What is the InChIKey of 4-nitro-N-(3-sulfamoylpropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is HNXOSJACRBLXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O5S/c9-18(16,17)3-1-2-10-8(13)7-4-6(5-11-7)12(14)15/h4-5,11H,1-3H2,(H,10,13)(H2,9,16,17).
What are the key properties of 4-nitro-N-(3-sulfamoylpropyl)-1H-pyrrole-2-carboxamide?
4-nitro-N-(3-sulfamoylpropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 276.27 g/mol, XLogP of -0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(3-sulfamoylpropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61131829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).