N-(1-aminopropan-2-yl)-5-chloro-4-nitrothiophene-2-sulfonamide

C7H10ClN3O4S2 — CID 80742339

IUPACN-(1-aminopropan-2-yl)-5-chloro-4-nitrothiophene-2-sulfonamide
SMILESCC(CN)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C7H10ClN3O4S2/c1-4(3-9)10-17(14,15)6-2-5(11(12)13)7(8)16-6/h2,4,10H,3,9H2,1H3
InChIKeyORKYWSKVMHJSDZ-UHFFFAOYSA-N
MW299.76 g/mol
LogP0.94
Rot. Bonds5

About N-(1-aminopropan-2-yl)-5-chloro-4-nitrothiophene-2-sulfonamide

N-(1-aminopropan-2-yl)-5-chloro-4-nitrothiophene-2-sulfonamide (PubChem CID 80742339) has the molecular formula C7H10ClN3O4S2 and a molecular weight of 299.76 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-5-chloro-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-5-chloro-4-nitrothiophene-2-sulfonamide
PubChem CID80742339
Molecular FormulaC7H10ClN3O4S2
Molecular Weight299.76 g/mol
Exact Mass298.98
IUPAC NameN-(1-aminopropan-2-yl)-5-chloro-4-nitrothiophene-2-sulfonamide
SMILESCC(CN)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C7H10ClN3O4S2/c1-4(3-9)10-17(14,15)6-2-5(11(12)13)7(8)16-6/h2,4,10H,3,9H2,1H3
InChIKeyORKYWSKVMHJSDZ-UHFFFAOYSA-N
XLogP0.94
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 50.94
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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Related Compounds

5-chloro-N-(6-methylheptan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80736166
5-chloro-4-nitro-N-pentan-3-ylthiophene-2-sulfonamide
CID 80741832
5-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-nitrothiophene-2-sulfonamide
CID 80742459
5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide
CID 80742232
N-(2-aminopropyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742338
N-(2-amino-3-methylbutyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742542
2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-propylpropanamide
CID 112729900
N-[(2S)-1-aminopropan-2-yl]-2-chloro-5-methyl-3-nitrobenzenesulfonamide
CID 120713189
5-chloro-4-nitro-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 80742301
2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103108335
5-chloro-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide
CID 102697574
5-chloro-N-[2-(ethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80742406

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-5-chloro-4-nitrothiophene-2-sulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-5-chloro-4-nitrothiophene-2-sulfonamide (CID 80742339) is N-(1-aminopropan-2-yl)-5-chloro-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-5-chloro-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-5-chloro-4-nitrothiophene-2-sulfonamide is CC(CN)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1.
What is the InChIKey of N-(1-aminopropan-2-yl)-5-chloro-4-nitrothiophene-2-sulfonamide?
The InChIKey is ORKYWSKVMHJSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O4S2/c1-4(3-9)10-17(14,15)6-2-5(11(12)13)7(8)16-6/h2,4,10H,3,9H2,1H3.
What are the key properties of N-(1-aminopropan-2-yl)-5-chloro-4-nitrothiophene-2-sulfonamide?
N-(1-aminopropan-2-yl)-5-chloro-4-nitrothiophene-2-sulfonamide has a molecular weight of 299.76 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-5-chloro-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80742339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).