2-amino-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide

C11H12N4O4S2 — CID 63823464

IUPAC2-amino-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCc1cscn1
InChIInChI=1S/C11H12N4O4S2/c12-10-5-9(15(16)17)1-2-11(10)21(18,19)14-4-3-8-6-20-7-13-8/h1-2,5-7,14H,3-4,12H2
InChIKeyCYKBNAUZSQWDNJ-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.15
Rot. Bonds6

About 2-amino-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide

2-amino-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 63823464) has the molecular formula C11H12N4O4S2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-amino-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID63823464
Molecular FormulaC11H12N4O4S2
Molecular Weight328.38 g/mol
Exact Mass328.03
IUPAC Name2-amino-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESNc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCc1cscn1
InChIInChI=1S/C11H12N4O4S2/c12-10-5-9(15(16)17)1-2-11(10)21(18,19)14-4-3-8-6-20-7-13-8/h1-2,5-7,14H,3-4,12H2
InChIKeyCYKBNAUZSQWDNJ-UHFFFAOYSA-N
XLogP1.15
TPSA128.22 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 ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-nitro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63824001
4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 55261418
5-amino-2,4-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63830560
2-methyl-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]aniline
CID 55260079
5-amino-2-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63831484
2-bromo-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825604
4-cyano-2-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 103717223
6-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 63826100
2-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825171
2-bromo-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63825961
3-amino-5-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63829852
2-nitro-3-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,3-diamine
CID 80846275

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 63823464) is 2-amino-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide is Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCc1cscn1.
What is the InChIKey of 2-amino-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is CYKBNAUZSQWDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S2/c12-10-5-9(15(16)17)1-2-11(10)21(18,19)14-4-3-8-6-20-7-13-8/h1-2,5-7,14H,3-4,12H2.
What are the key properties of 2-amino-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
2-amino-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 328.38 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 63823464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).