5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide

C8H9ClN2O4S2 — CID 80741766

IUPAC5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide
SMILESCN(C1CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C8H9ClN2O4S2/c1-10(5-2-3-5)17(14,15)7-4-6(11(12)13)8(9)16-7/h4-5H,2-3H2,1H3
InChIKeyCZZLKDCHKNGDDL-UHFFFAOYSA-N
MW296.76 g/mol
LogP2.09
Rot. Bonds4

About 5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide

5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide (PubChem CID 80741766) has the molecular formula C8H9ClN2O4S2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide
PubChem CID80741766
Molecular FormulaC8H9ClN2O4S2
Molecular Weight296.76 g/mol
Exact Mass295.97
IUPAC Name5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide
SMILESCN(C1CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C8H9ClN2O4S2/c1-10(5-2-3-5)17(14,15)7-4-6(11(12)13)8(9)16-7/h4-5H,2-3H2,1H3
InChIKeyCZZLKDCHKNGDDL-UHFFFAOYSA-N
XLogP2.09
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 52.09
H-Bond Donors ≤ 50
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'}

Analyze 5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-cyclohexyl-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80742364
5-chloro-N-(cyclohexylmethyl)-N-methyl-4-nitrothiophene-2-sulfonamide
CID 112729909
5-chloro-N-cyclopropyl-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 80735432
1-(5-chloro-4-nitrothiophen-2-yl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 80734863
5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-nitrothiophene-2-sulfonamide
CID 80741851
5-chloro-N-ethyl-4-nitro-N-piperidin-4-ylthiophene-2-sulfonamide
CID 80745692
5-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-nitrothiophene-2-sulfonamide
CID 102861554
5-chloro-N-methyl-N-(3-methylbutyl)-4-nitrothiophene-2-sulfonamide
CID 80742645
N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80742614
5-chloro-4-nitrothiophene-2-sulfonamide
CID 2735782
N-(4-aminocyclohexyl)-5-chloro-N,4-dimethylthiophene-2-sulfonamide
CID 103099464
5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide
CID 80742232

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide (CID 80741766) is 5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide is CN(C1CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1.
What is the InChIKey of 5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide?
The InChIKey is CZZLKDCHKNGDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O4S2/c1-10(5-2-3-5)17(14,15)7-4-6(11(12)13)8(9)16-7/h4-5H,2-3H2,1H3.
What are the key properties of 5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide?
5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide has a molecular weight of 296.76 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80741766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).