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

C8H7ClN4O2S2 — CID 114911673

IUPAC2-amino-4-chloro-N-(thiadiazol-5-yl)benzenesulfonamide
SMILESNc1cc(Cl)ccc1S(=O)(=O)Nc1cnns1
InChIInChI=1S/C8H7ClN4O2S2/c9-5-1-2-7(6(10)3-5)17(14,15)12-8-4-11-13-16-8/h1-4,12H,10H2
InChIKeyPARPHZSIWRJVRN-UHFFFAOYSA-N
MW290.76 g/mol
LogP1.57
Rot. Bonds3

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

2-amino-4-chloro-N-(thiadiazol-5-yl)benzenesulfonamide (PubChem CID 114911673) has the molecular formula C8H7ClN4O2S2 and a molecular weight of 290.76 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(thiadiazol-5-yl)benzenesulfonamide
PubChem CID114911673
Molecular FormulaC8H7ClN4O2S2
Molecular Weight290.76 g/mol
Exact Mass289.97
IUPAC Name2-amino-4-chloro-N-(thiadiazol-5-yl)benzenesulfonamide
SMILESNc1cc(Cl)ccc1S(=O)(=O)Nc1cnns1
InChIInChI=1S/C8H7ClN4O2S2/c9-5-1-2-7(6(10)3-5)17(14,15)12-8-4-11-13-16-8/h1-4,12H,10H2
InChIKeyPARPHZSIWRJVRN-UHFFFAOYSA-N
XLogP1.57
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.76
LogP ≤ 51.57
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

5-amino-2-chloro-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114911701
5-amino-3-bromo-2-chloro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114274512
5-amino-N-(thiadiazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 114911708
3-amino-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114911645
2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide
CID 116794766
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 43114317
2-chloro-5-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912145
2-amino-4-chloro-N-(3-chloro-4-fluorophenyl)benzenesulfonamide
CID 28938069
2-amino-5-chloro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911766
2-amino-4-chloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 28549919
2-amino-4-chloro-N-(2-cyanophenyl)benzenesulfonamide
CID 28542938
5-cyano-2-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912630

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-(thiadiazol-5-yl)benzenesulfonamide (CID 114911673) is 2-amino-4-chloro-N-(thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-(thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-(thiadiazol-5-yl)benzenesulfonamide is Nc1cc(Cl)ccc1S(=O)(=O)Nc1cnns1.
What is the InChIKey of 2-amino-4-chloro-N-(thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is PARPHZSIWRJVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O2S2/c9-5-1-2-7(6(10)3-5)17(14,15)12-8-4-11-13-16-8/h1-4,12H,10H2.
What are the key properties of 2-amino-4-chloro-N-(thiadiazol-5-yl)benzenesulfonamide?
2-amino-4-chloro-N-(thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 290.76 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 114911673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).