5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide

C9H11ClN2O4S2 — CID 80742232

IUPAC5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1)C1CC1
InChIInChI=1S/C9H11ClN2O4S2/c1-5(6-2-3-6)11-18(15,16)8-4-7(12(13)14)9(10)17-8/h4-6,11H,2-3H2,1H3
InChIKeyAOBXMQOJKSJRSL-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.39
Rot. Bonds5

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

5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide (PubChem CID 80742232) has the molecular formula C9H11ClN2O4S2 and a molecular weight of 310.78 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide
PubChem CID80742232
Molecular FormulaC9H11ClN2O4S2
Molecular Weight310.78 g/mol
Exact Mass309.98
IUPAC Name5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1)C1CC1
InChIInChI=1S/C9H11ClN2O4S2/c1-5(6-2-3-6)11-18(15,16)8-4-7(12(13)14)9(10)17-8/h4-6,11H,2-3H2,1H3
InChIKeyAOBXMQOJKSJRSL-UHFFFAOYSA-N
XLogP2.39
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(1-aminopropan-2-yl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742339
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-(6-methylheptan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80736166
5-chloro-4-nitro-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 80742301
N-(2-aminopropyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742338
2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-propylpropanamide
CID 112729900
5-chloro-N-cyclopentyloxy-4-nitrothiophene-2-sulfonamide
CID 83228578
2-[(5-chloro-4-nitrothiophen-2-yl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103108335
N-(2-bromocyclopentyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742266
5-chloro-N-(2-methoxypropyl)-4-nitrothiophene-2-sulfonamide
CID 102697574
N-(2-amino-3-methylbutyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742542

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide (CID 80742232) is 5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide is CC(NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1)C1CC1.
What is the InChIKey of 5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide?
The InChIKey is AOBXMQOJKSJRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O4S2/c1-5(6-2-3-6)11-18(15,16)8-4-7(12(13)14)9(10)17-8/h4-6,11H,2-3H2,1H3.
What are the key properties of 5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide?
5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide has a molecular weight of 310.78 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80742232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).