5-(ethylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide

C11H12N4O4S2 — CID 62150001

IUPAC5-(ethylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCNc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nccs2)c1
InChIInChI=1S/C11H12N4O4S2/c1-2-12-8-3-4-9(15(16)17)10(7-8)21(18,19)14-11-13-5-6-20-11/h3-7,12H,2H2,1H3,(H,13,14)
InChIKeyIPFGIMKZTQXPTM-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.28
Rot. Bonds6

About 5-(ethylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide

5-(ethylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 62150001) has the molecular formula C11H12N4O4S2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 5-(ethylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(ethylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID62150001
Molecular FormulaC11H12N4O4S2
Molecular Weight328.38 g/mol
Exact Mass328.03
IUPAC Name5-(ethylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCCNc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nccs2)c1
InChIInChI=1S/C11H12N4O4S2/c1-2-12-8-3-4-9(15(16)17)10(7-8)21(18,19)14-11-13-5-6-20-11/h3-7,12H,2H2,1H3,(H,13,14)
InChIKeyIPFGIMKZTQXPTM-UHFFFAOYSA-N
XLogP2.28
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

3-(ethylamino)-4-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 82845963
3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 114263537
N-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide
CID 62150565
5-(ethylamino)-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide
CID 83023600
4-(ethylamino)-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 62162452
N-tert-butyl-5-(ethylamino)-2-nitrobenzenesulfonamide
CID 62149483
5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzenesulfonamide
CID 62150204
3-(methylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 115993249
1-ethyl-4-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-5-carboxamide
CID 19476326
5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide
CID 60989700
4-(methanesulfonamido)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 653937
1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine
CID 57469469

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-(ethylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 62150001) is 5-(ethylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-(ethylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-(ethylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide is CCNc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nccs2)c1.
What is the InChIKey of 5-(ethylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is IPFGIMKZTQXPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S2/c1-2-12-8-3-4-9(15(16)17)10(7-8)21(18,19)14-11-13-5-6-20-11/h3-7,12H,2H2,1H3,(H,13,14).
What are the key properties of 5-(ethylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
5-(ethylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 328.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-nitro-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 62150001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).