5-chloro-4-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

C10H11ClN4O4S2 — CID 104620691

IUPAC5-chloro-4-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCCCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)n[nH]1
InChIInChI=1S/C10H11ClN4O4S2/c1-2-3-6-4-8(13-12-6)14-21(18,19)9-5-7(15(16)17)10(11)20-9/h4-5H,2-3H2,1H3,(H2,12,13,14)
InChIKeyFBMSYWGJVGEJJL-UHFFFAOYSA-N
MW350.81 g/mol
LogP2.79
Rot. Bonds6

About 5-chloro-4-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

5-chloro-4-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 104620691) has the molecular formula C10H11ClN4O4S2 and a molecular weight of 350.81 g/mol. Its IUPAC name is 5-chloro-4-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-4-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID104620691
Molecular FormulaC10H11ClN4O4S2
Molecular Weight350.81 g/mol
Exact Mass349.99
IUPAC Name5-chloro-4-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCCCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)n[nH]1
InChIInChI=1S/C10H11ClN4O4S2/c1-2-3-6-4-8(13-12-6)14-21(18,19)9-5-7(15(16)17)10(11)20-9/h4-5H,2-3H2,1H3,(H2,12,13,14)
InChIKeyFBMSYWGJVGEJJL-UHFFFAOYSA-N
XLogP2.79
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-4-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (CID 104620691) is 5-chloro-4-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-4-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-4-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is CCCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)s2)n[nH]1.
What is the InChIKey of 5-chloro-4-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is FBMSYWGJVGEJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O4S2/c1-2-3-6-4-8(13-12-6)14-21(18,19)9-5-7(15(16)17)10(11)20-9/h4-5H,2-3H2,1H3,(H2,12,13,14).
What are the key properties of 5-chloro-4-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
5-chloro-4-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 350.81 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-nitro-N-(5-propyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 104620691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).