5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide

C11H12ClN3O2S2 — CID 61463931

IUPAC5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cc(N)ccc2Cl)sc1C
InChIInChI=1S/C11H12ClN3O2S2/c1-6-7(2)18-11(14-6)15-19(16,17)10-5-8(13)3-4-9(10)12/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyNRJPZUFMACXNSM-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.80
Rot. Bonds3

About 5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide

5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 61463931) has the molecular formula C11H12ClN3O2S2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID61463931
Molecular FormulaC11H12ClN3O2S2
Molecular Weight317.82 g/mol
Exact Mass317.01
IUPAC Name5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cc(N)ccc2Cl)sc1C
InChIInChI=1S/C11H12ClN3O2S2/c1-6-7(2)18-11(14-6)15-19(16,17)10-5-8(13)3-4-9(10)12/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyNRJPZUFMACXNSM-UHFFFAOYSA-N
XLogP2.80
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.80
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

5-amino-2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61471894
5-amino-3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide
CID 61464277
5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide
CID 61464070
5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1H-indole-3-sulfonamide
CID 64851872
5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 29301609
3-chloro-2-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 75420865
5-amino-2-chloro-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 102803345
5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 29276222
5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617147
2-[(2-chlorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63946233
N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide
CID 28970981
5-amino-2-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 3521355

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 61463931) is 5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1nc(NS(=O)(=O)c2cc(N)ccc2Cl)sc1C.
What is the InChIKey of 5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is NRJPZUFMACXNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S2/c1-6-7(2)18-11(14-6)15-19(16,17)10-5-8(13)3-4-9(10)12/h3-5H,13H2,1-2H3,(H,14,15).
What are the key properties of 5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide?
5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 317.82 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 61463931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).