4-amino-3-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

C10H10ClN3O2S2 — CID 115329878

IUPAC4-amino-3-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2nccs2)cc1Cl
InChIInChI=1S/C10H10ClN3O2S2/c11-8-5-7(1-2-9(8)12)18(15,16)14-6-10-13-3-4-17-10/h1-5,14H,6,12H2
InChIKeyVLMCNWPXGKTQIR-UHFFFAOYSA-N
MW303.80 g/mol
LogP1.86
Rot. Bonds4

About 4-amino-3-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide

4-amino-3-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (PubChem CID 115329878) has the molecular formula C10H10ClN3O2S2 and a molecular weight of 303.80 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
PubChem CID115329878
Molecular FormulaC10H10ClN3O2S2
Molecular Weight303.80 g/mol
Exact Mass302.99
IUPAC Name4-amino-3-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2nccs2)cc1Cl
InChIInChI=1S/C10H10ClN3O2S2/c11-8-5-7(1-2-9(8)12)18(15,16)14-6-10-13-3-4-17-10/h1-5,14H,6,12H2
InChIKeyVLMCNWPXGKTQIR-UHFFFAOYSA-N
XLogP1.86
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 61285408
4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440454
3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110446621
N-(1,3-thiazol-2-ylmethyl)naphthalene-2-sulfonamide
CID 110443097
4-amino-3-chloro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 113288438
4-amino-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106402302
2-chloro-5-nitro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 61074126
4-amino-3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 82844642
4-amino-N-(1,3-thiazol-2-ylmethyl)naphthalene-1-sulfonamide
CID 115944450
3-(aminomethyl)-4-chloro-5-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 81458041
4-amino-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 115330027
3-amino-5-fluoro-4-methoxy-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 114625412

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (CID 115329878) is 4-amino-3-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NCc2nccs2)cc1Cl.
What is the InChIKey of 4-amino-3-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is VLMCNWPXGKTQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S2/c11-8-5-7(1-2-9(8)12)18(15,16)14-6-10-13-3-4-17-10/h1-5,14H,6,12H2.
What are the key properties of 4-amino-3-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
4-amino-3-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 303.80 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 115329878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).