N-tert-butyl-5-chloro-3-(hydrazinecarbonyl)thiophene-2-sulfonamide

C9H14ClN3O3S2 — CID 11045169

IUPACN-tert-butyl-5-chloro-3-(hydrazinecarbonyl)thiophene-2-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1sc(Cl)cc1C(=O)NN
InChIInChI=1S/C9H14ClN3O3S2/c1-9(2,3)13-18(15,16)8-5(7(14)12-11)4-6(10)17-8/h4,13H,11H2,1-3H3,(H,12,14)
InChIKeyQWLLHIGVZWUCPK-UHFFFAOYSA-N
MW311.82 g/mol
LogP1.08
Rot. Bonds3

About N-tert-butyl-5-chloro-3-(hydrazinecarbonyl)thiophene-2-sulfonamide

N-tert-butyl-5-chloro-3-(hydrazinecarbonyl)thiophene-2-sulfonamide (PubChem CID 11045169) has the molecular formula C9H14ClN3O3S2 and a molecular weight of 311.82 g/mol. Its IUPAC name is N-tert-butyl-5-chloro-3-(hydrazinecarbonyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-chloro-3-(hydrazinecarbonyl)thiophene-2-sulfonamide
PubChem CID11045169
Molecular FormulaC9H14ClN3O3S2
Molecular Weight311.82 g/mol
Exact Mass311.02
IUPAC NameN-tert-butyl-5-chloro-3-(hydrazinecarbonyl)thiophene-2-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1sc(Cl)cc1C(=O)NN
InChIInChI=1S/C9H14ClN3O3S2/c1-9(2,3)13-18(15,16)8-5(7(14)12-11)4-6(10)17-8/h4,13H,11H2,1-3H3,(H,12,14)
InChIKeyQWLLHIGVZWUCPK-UHFFFAOYSA-N
XLogP1.08
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 N-tert-butyl-5-chloro-3-(hydrazinecarbonyl)thiophene-2-sulfonamide?
The IUPAC name of N-tert-butyl-5-chloro-3-(hydrazinecarbonyl)thiophene-2-sulfonamide (CID 11045169) is N-tert-butyl-5-chloro-3-(hydrazinecarbonyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-5-chloro-3-(hydrazinecarbonyl)thiophene-2-sulfonamide?
The canonical SMILES for N-tert-butyl-5-chloro-3-(hydrazinecarbonyl)thiophene-2-sulfonamide is CC(C)(C)NS(=O)(=O)c1sc(Cl)cc1C(=O)NN.
What is the InChIKey of N-tert-butyl-5-chloro-3-(hydrazinecarbonyl)thiophene-2-sulfonamide?
The InChIKey is QWLLHIGVZWUCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O3S2/c1-9(2,3)13-18(15,16)8-5(7(14)12-11)4-6(10)17-8/h4,13H,11H2,1-3H3,(H,12,14).
What are the key properties of N-tert-butyl-5-chloro-3-(hydrazinecarbonyl)thiophene-2-sulfonamide?
N-tert-butyl-5-chloro-3-(hydrazinecarbonyl)thiophene-2-sulfonamide has a molecular weight of 311.82 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-chloro-3-(hydrazinecarbonyl)thiophene-2-sulfonamide is sourced from PubChem (CID 11045169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).