5-amino-2-chloro-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide

C9H9ClN4O2S2 — CID 114911701

IUPAC5-amino-2-chloro-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
SMILESCc1cc(Cl)c(S(=O)(=O)Nc2cnns2)cc1N
InChIInChI=1S/C9H9ClN4O2S2/c1-5-2-6(10)8(3-7(5)11)18(15,16)13-9-4-12-14-17-9/h2-4,13H,11H2,1H3
InChIKeyXESJNOUDUNGQRA-UHFFFAOYSA-N
MW304.78 g/mol
LogP1.88
Rot. Bonds3

About 5-amino-2-chloro-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide

5-amino-2-chloro-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide (PubChem CID 114911701) has the molecular formula C9H9ClN4O2S2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-amino-2-chloro-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
PubChem CID114911701
Molecular FormulaC9H9ClN4O2S2
Molecular Weight304.78 g/mol
Exact Mass303.99
IUPAC Name5-amino-2-chloro-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
SMILESCc1cc(Cl)c(S(=O)(=O)Nc2cnns2)cc1N
InChIInChI=1S/C9H9ClN4O2S2/c1-5-2-6(10)8(3-7(5)11)18(15,16)13-9-4-12-14-17-9/h2-4,13H,11H2,1H3
InChIKeyXESJNOUDUNGQRA-UHFFFAOYSA-N
XLogP1.88
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-chloro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114911673
3-amino-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114911645
5-amino-3-bromo-2-chloro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114274512
2-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912145
5-amino-N-(thiadiazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 114911708
5-cyano-2-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912630
5-amino-2-chloro-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698332
5-amino-2-chloro-N-[(2R)-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 107213312
5-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 106033980
N-(thiadiazol-5-yl)ethanesulfonamide
CID 107649055
5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide
CID 107213615
6-amino-N-(thiadiazol-5-yl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337288

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide (CID 114911701) is 5-amino-2-chloro-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide is Cc1cc(Cl)c(S(=O)(=O)Nc2cnns2)cc1N.
What is the InChIKey of 5-amino-2-chloro-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is XESJNOUDUNGQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2S2/c1-5-2-6(10)8(3-7(5)11)18(15,16)13-9-4-12-14-17-9/h2-4,13H,11H2,1H3.
What are the key properties of 5-amino-2-chloro-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide?
5-amino-2-chloro-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 304.78 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 114911701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).