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

C10H10ClN3O2S2 — CID 113288438

IUPAC4-amino-3-chloro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2cscn2)cc1Cl
InChIInChI=1S/C10H10ClN3O2S2/c11-9-3-8(1-2-10(9)12)18(15,16)14-4-7-5-17-6-13-7/h1-3,5-6,14H,4,12H2
InChIKeyKMGAYGGUIBLTKK-UHFFFAOYSA-N
MW303.80 g/mol
LogP1.86
Rot. Bonds4

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

4-amino-3-chloro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide (PubChem CID 113288438) 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-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
PubChem CID113288438
Molecular FormulaC10H10ClN3O2S2
Molecular Weight303.80 g/mol
Exact Mass302.99
IUPAC Name4-amino-3-chloro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2cscn2)cc1Cl
InChIInChI=1S/C10H10ClN3O2S2/c11-9-3-8(1-2-10(9)12)18(15,16)14-4-7-5-17-6-13-7/h1-3,5-6,14H,4,12H2
InChIKeyKMGAYGGUIBLTKK-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

4-amino-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 270385
4-amino-5-chloro-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 134586041
trans-(1S,2S)-1-N-[2-chloro-5-fluoro-4-(1,3-thiazol-4-ylmethylsulfonyl)phenyl]-2-N,2-N-dimethylcyclohexane-1,2-diamine
CID 149457504
5-amino-2-chloro-4-fluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 55260262
5-amino-3-chloro-2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61126822
5-amino-3-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 61282415
5-amino-3-chloro-2-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 61286197
5-amino-2-chloro-4-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 61610426
5-amino-3-chloro-2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 61610587
4-amino-2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 61718945
5-amino-3-chloro-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 61804332
5-amino-3-chloro-2-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63279902

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-chloro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide (CID 113288438) is 4-amino-3-chloro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-chloro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-chloro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NCc2cscn2)cc1Cl.
What is the InChIKey of 4-amino-3-chloro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
The InChIKey is KMGAYGGUIBLTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S2/c11-9-3-8(1-2-10(9)12)18(15,16)14-4-7-5-17-6-13-7/h1-3,5-6,14H,4,12H2.
What are the key properties of 4-amino-3-chloro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide?
4-amino-3-chloro-N-(1,3-thiazol-4-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-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 113288438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).