N-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide

C10H10ClN3O2S2 — CID 103413759

IUPACN-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc(N)cc2Cl)s1
InChIInChI=1S/C10H10ClN3O2S2/c1-6-13-5-10(17-6)18(15,16)14-9-3-2-7(12)4-8(9)11/h2-5,14H,12H2,1H3
InChIKeyMKFOFBGZSRDYQH-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.49
Rot. Bonds3

About N-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide

N-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103413759) has the molecular formula C10H10ClN3O2S2 and a molecular weight of 303.80 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103413759
Molecular FormulaC10H10ClN3O2S2
Molecular Weight303.80 g/mol
Exact Mass302.99
IUPAC NameN-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc(N)cc2Cl)s1
InChIInChI=1S/C10H10ClN3O2S2/c1-6-13-5-10(17-6)18(15,16)14-9-3-2-7(12)4-8(9)11/h2-5,14H,12H2,1H3
InChIKeyMKFOFBGZSRDYQH-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

N-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413785
N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413734
4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarbothioamide
CID 103414697
4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 104932565
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413868
3,5-dichloro-4-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103414384
5-bromo-N'-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarboximidamide
CID 103415758
5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 104933209
N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413875
N-(3-iodo-2-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 113368495
2-chloro-N-(2-chloro-4-cyanophenyl)-1,3-thiazole-5-sulfonamide
CID 107807707
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415554

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide (CID 103413759) is N-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2ccc(N)cc2Cl)s1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is MKFOFBGZSRDYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S2/c1-6-13-5-10(17-6)18(15,16)14-9-3-2-7(12)4-8(9)11/h2-5,14H,12H2,1H3.
What are the key properties of N-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide?
N-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide 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 N-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103413759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).