5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-nitrothiophene-2-sulfonamide

C10H14ClN3O4S2 — CID 80741851

IUPAC5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-nitrothiophene-2-sulfonamide
SMILESCN(CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1)C1CC1
InChIInChI=1S/C10H14ClN3O4S2/c1-13(7-2-3-7)5-4-12-20(17,18)9-6-8(14(15)16)10(11)19-9/h6-7,12H,2-5H2,1H3
InChIKeySGRZCUXFJDPYHN-UHFFFAOYSA-N
MW339.83 g/mol
LogP1.68
Rot. Bonds7

About 5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-nitrothiophene-2-sulfonamide

5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-nitrothiophene-2-sulfonamide (PubChem CID 80741851) has the molecular formula C10H14ClN3O4S2 and a molecular weight of 339.83 g/mol. Its IUPAC name is 5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-nitrothiophene-2-sulfonamide
PubChem CID80741851
Molecular FormulaC10H14ClN3O4S2
Molecular Weight339.83 g/mol
Exact Mass339.01
IUPAC Name5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-nitrothiophene-2-sulfonamide
SMILESCN(CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1)C1CC1
InChIInChI=1S/C10H14ClN3O4S2/c1-13(7-2-3-7)5-4-12-20(17,18)9-6-8(14(15)16)10(11)19-9/h6-7,12H,2-5H2,1H3
InChIKeySGRZCUXFJDPYHN-UHFFFAOYSA-N
XLogP1.68
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 51.68
H-Bond Donors ≤ 51
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-(2-iodoethyl)-4-nitrothiophene-2-sulfonamide
CID 106442151
5-chloro-N-(2-chloroethyl)-4-nitrothiophene-2-sulfonamide
CID 80742265
5-chloro-N-cyclopropyl-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80741766
5-chloro-N-[2-(ethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80742406
5-chloro-N-[2-(methylsulfamoyl)ethyl]-4-nitrothiophene-2-sulfonamide
CID 106336240
5-chloro-N-(3-methylsulfonylpropyl)-4-nitrothiophene-2-sulfonamide
CID 80742040
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-nitrobenzenesulfonamide
CID 62978388
5-chloro-N-(4-methoxybutyl)-4-nitrothiophene-2-sulfonamide
CID 80741978
5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-nitrothiophene-2-sulfonamide
CID 106415831
5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80746787
5-chloro-N-(1-cyclopropylethyl)-4-nitrothiophene-2-sulfonamide
CID 80742232
5-chloro-N-cyclohexyl-N-methyl-4-nitrothiophene-2-sulfonamide
CID 80742364

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-nitrothiophene-2-sulfonamide (CID 80741851) is 5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-nitrothiophene-2-sulfonamide is CN(CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1)C1CC1.
What is the InChIKey of 5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-nitrothiophene-2-sulfonamide?
The InChIKey is SGRZCUXFJDPYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O4S2/c1-13(7-2-3-7)5-4-12-20(17,18)9-6-8(14(15)16)10(11)19-9/h6-7,12H,2-5H2,1H3.
What are the key properties of 5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-nitrothiophene-2-sulfonamide?
5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-nitrothiophene-2-sulfonamide has a molecular weight of 339.83 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80741851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).