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

C10H10ClN3O2S2 — CID 29294416

IUPAC4-amino-2-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(N)cc2Cl)s1
InChIInChI=1S/C10H10ClN3O2S2/c1-6-5-13-10(17-6)14-18(15,16)9-3-2-7(12)4-8(9)11/h2-5H,12H2,1H3,(H,13,14)
InChIKeyIBVQAEOQZNSLDV-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.49
Rot. Bonds3

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

4-amino-2-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 29294416) has the molecular formula C10H10ClN3O2S2 and a molecular weight of 303.80 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID29294416
Molecular FormulaC10H10ClN3O2S2
Molecular Weight303.80 g/mol
Exact Mass302.99
IUPAC Name4-amino-2-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(N)cc2Cl)s1
InChIInChI=1S/C10H10ClN3O2S2/c1-6-5-13-10(17-6)14-18(15,16)9-3-2-7(12)4-8(9)11/h2-5H,12H2,1H3,(H,13,14)
InChIKeyIBVQAEOQZNSLDV-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

5-amino-3-chloro-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43257519
2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 28548844
6-amino-5-chloro-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 64608128
4-amino-2-chloro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911735
4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 65470012
6-amino-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62145030
4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012665
4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 43114331
2-fluoro-4-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 11485390
5-amino-2-methoxy-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 79974806
5-amino-2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61463931
4-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide
CID 43325334

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 29294416) is 4-amino-2-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1cnc(NS(=O)(=O)c2ccc(N)cc2Cl)s1.
What is the InChIKey of 4-amino-2-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is IBVQAEOQZNSLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S2/c1-6-5-13-10(17-6)14-18(15,16)9-3-2-7(12)4-8(9)11/h2-5H,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-2-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
4-amino-2-chloro-N-(5-methyl-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 4-amino-2-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 29294416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).