5-(benzenesulfonamido)-N-(4-nitrophenyl)triazolidine-4-carboxamide

C15H16N6O5S — CID 78408681

IUPAC5-(benzenesulfonamido)-N-(4-nitrophenyl)triazolidine-4-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C1NNNC1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16N6O5S/c22-15(16-10-6-8-11(9-7-10)21(23)24)13-14(18-20-17-13)19-27(25,26)12-4-2-1-3-5-12/h1-9,13-14,17-20H,(H,16,22)
InChIKeyIWEZUCRZAMXRMB-UHFFFAOYSA-N
MW392.40 g/mol
LogP-0.18
Rot. Bonds6

About 5-(benzenesulfonamido)-N-(4-nitrophenyl)triazolidine-4-carboxamide

5-(benzenesulfonamido)-N-(4-nitrophenyl)triazolidine-4-carboxamide (PubChem CID 78408681) has the molecular formula C15H16N6O5S and a molecular weight of 392.40 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-N-(4-nitrophenyl)triazolidine-4-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-N-(4-nitrophenyl)triazolidine-4-carboxamide
PubChem CID78408681
Molecular FormulaC15H16N6O5S
Molecular Weight392.40 g/mol
Exact Mass392.09
IUPAC Name5-(benzenesulfonamido)-N-(4-nitrophenyl)triazolidine-4-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)C1NNNC1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16N6O5S/c22-15(16-10-6-8-11(9-7-10)21(23)24)13-14(18-20-17-13)19-27(25,26)12-4-2-1-3-5-12/h1-9,13-14,17-20H,(H,16,22)
InChIKeyIWEZUCRZAMXRMB-UHFFFAOYSA-N
XLogP-0.18
TPSA154.50 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 5-0.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-(benzenesulfonyl)-N-(4-nitrophenyl)propanediamide
CID 135052001
N-[4-(benzenesulfonamido)phenyl]-4-nitrobenzamide
CID 4230434
1-[4-[4-(benzenesulfonamido)phenyl]sulfonylphenyl]-3-(4-nitrophenyl)urea
CID 156902705
N-(4-methylsulfonylphenyl)-5-phenyltriazolidine-4-carboxamide
CID 133110114
2,4-bis(4-nitrophenyl)-1-N,3-N-diphenylcyclobutane-1,3-dicarboxamide
CID 122396351
2,2-dichloro-N-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxamide
CID 2885035
[4-(4-nitrophenyl)sulfonylphenyl]urea
CID 134093092
5-anilino-N-(4-propan-2-ylphenyl)triazolidine-4-carboxamide
CID 75974353
N-[(4-nitrophenyl)methyl]benzenesulfonamide
CID 15751182
1-[2-(benzenesulfonamido)-4-nitrophenyl]-3-phenylurea
CID 158579862
N-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540750
1-(4-methoxyphenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
CID 171358011

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-N-(4-nitrophenyl)triazolidine-4-carboxamide?
The IUPAC name of 5-(benzenesulfonamido)-N-(4-nitrophenyl)triazolidine-4-carboxamide (CID 78408681) is 5-(benzenesulfonamido)-N-(4-nitrophenyl)triazolidine-4-carboxamide.
What is the SMILES notation for 5-(benzenesulfonamido)-N-(4-nitrophenyl)triazolidine-4-carboxamide?
The canonical SMILES for 5-(benzenesulfonamido)-N-(4-nitrophenyl)triazolidine-4-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)C1NNNC1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonamido)-N-(4-nitrophenyl)triazolidine-4-carboxamide?
The InChIKey is IWEZUCRZAMXRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O5S/c22-15(16-10-6-8-11(9-7-10)21(23)24)13-14(18-20-17-13)19-27(25,26)12-4-2-1-3-5-12/h1-9,13-14,17-20H,(H,16,22).
What are the key properties of 5-(benzenesulfonamido)-N-(4-nitrophenyl)triazolidine-4-carboxamide?
5-(benzenesulfonamido)-N-(4-nitrophenyl)triazolidine-4-carboxamide has a molecular weight of 392.40 g/mol, XLogP of -0.18, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-N-(4-nitrophenyl)triazolidine-4-carboxamide is sourced from PubChem (CID 78408681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).