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

C10H10ClN3O2S2 — CID 29041502

IUPAC3-amino-5-chloro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)Nc2nccs2)cc1Cl
InChIInChI=1S/C10H10ClN3O2S2/c1-6-8(11)4-7(5-9(6)12)18(15,16)14-10-13-2-3-17-10/h2-5H,12H2,1H3,(H,13,14)
InChIKeyHETCYXLZLDTYEE-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.49
Rot. Bonds3

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

3-amino-5-chloro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 29041502) has the molecular formula C10H10ClN3O2S2 and a molecular weight of 303.80 g/mol. Its IUPAC name is 3-amino-5-chloro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID29041502
Molecular FormulaC10H10ClN3O2S2
Molecular Weight303.80 g/mol
Exact Mass302.99
IUPAC Name3-amino-5-chloro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)Nc2nccs2)cc1Cl
InChIInChI=1S/C10H10ClN3O2S2/c1-6-8(11)4-7(5-9(6)12)18(15,16)14-10-13-2-3-17-10/h2-5H,12H2,1H3,(H,13,14)
InChIKeyHETCYXLZLDTYEE-UHFFFAOYSA-N
XLogP2.49
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 52.49
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-5-chloro-4-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 28529159
3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256868
3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28509857
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
3-chloro-4-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031898
2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 28536256
3-amino-5-chloro-4-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62904150
ethane;4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 145483672
3-amino-5-chloro-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 43345878
3-amino-5-chloro-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 29298879
3-amino-5-chloro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 43524314
3,5-dichloro-4-[1-(2-fluorophenyl)ethylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 134585802

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 29041502) is 3-amino-5-chloro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is Cc1c(N)cc(S(=O)(=O)Nc2nccs2)cc1Cl.
What is the InChIKey of 3-amino-5-chloro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is HETCYXLZLDTYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S2/c1-6-8(11)4-7(5-9(6)12)18(15,16)14-10-13-2-3-17-10/h2-5H,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-5-chloro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
3-amino-5-chloro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 303.80 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 29041502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).