4-amino-2-chloro-5-[3-(2H-tetrazol-5-yl)thiophen-2-yl]benzenesulfonamide

C11H9ClN6O2S2 — CID 69335286

IUPAC4-amino-2-chloro-5-[3-(2H-tetrazol-5-yl)thiophen-2-yl]benzenesulfonamide
SMILESNc1cc(Cl)c(S(N)(=O)=O)cc1-c1sccc1-c1nn[nH]n1
InChIInChI=1S/C11H9ClN6O2S2/c12-7-4-8(13)6(3-9(7)22(14,19)20)10-5(1-2-21-10)11-15-17-18-16-11/h1-4H,13H2,(H2,14,19,20)(H,15,16,17,18)
InChIKeyZDGLTPZUFTYHSN-UHFFFAOYSA-N
MW356.82 g/mol
LogP1.48
Rot. Bonds3

About 4-amino-2-chloro-5-[3-(2H-tetrazol-5-yl)thiophen-2-yl]benzenesulfonamide

4-amino-2-chloro-5-[3-(2H-tetrazol-5-yl)thiophen-2-yl]benzenesulfonamide (PubChem CID 69335286) has the molecular formula C11H9ClN6O2S2 and a molecular weight of 356.82 g/mol. Its IUPAC name is 4-amino-2-chloro-5-[3-(2H-tetrazol-5-yl)thiophen-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-5-[3-(2H-tetrazol-5-yl)thiophen-2-yl]benzenesulfonamide
PubChem CID69335286
Molecular FormulaC11H9ClN6O2S2
Molecular Weight356.82 g/mol
Exact Mass355.99
IUPAC Name4-amino-2-chloro-5-[3-(2H-tetrazol-5-yl)thiophen-2-yl]benzenesulfonamide
SMILESNc1cc(Cl)c(S(N)(=O)=O)cc1-c1sccc1-c1nn[nH]n1
InChIInChI=1S/C11H9ClN6O2S2/c12-7-4-8(13)6(3-9(7)22(14,19)20)10-5(1-2-21-10)11-15-17-18-16-11/h1-4H,13H2,(H2,14,19,20)(H,15,16,17,18)
InChIKeyZDGLTPZUFTYHSN-UHFFFAOYSA-N
XLogP1.48
TPSA140.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-5-[3-(2H-tetrazol-5-yl)thiophen-2-yl]benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-5-[3-(2H-tetrazol-5-yl)thiophen-2-yl]benzenesulfonamide (CID 69335286) is 4-amino-2-chloro-5-[3-(2H-tetrazol-5-yl)thiophen-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-5-[3-(2H-tetrazol-5-yl)thiophen-2-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-5-[3-(2H-tetrazol-5-yl)thiophen-2-yl]benzenesulfonamide is Nc1cc(Cl)c(S(N)(=O)=O)cc1-c1sccc1-c1nn[nH]n1.
What is the InChIKey of 4-amino-2-chloro-5-[3-(2H-tetrazol-5-yl)thiophen-2-yl]benzenesulfonamide?
The InChIKey is ZDGLTPZUFTYHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6O2S2/c12-7-4-8(13)6(3-9(7)22(14,19)20)10-5(1-2-21-10)11-15-17-18-16-11/h1-4H,13H2,(H2,14,19,20)(H,15,16,17,18).
What are the key properties of 4-amino-2-chloro-5-[3-(2H-tetrazol-5-yl)thiophen-2-yl]benzenesulfonamide?
4-amino-2-chloro-5-[3-(2H-tetrazol-5-yl)thiophen-2-yl]benzenesulfonamide has a molecular weight of 356.82 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-5-[3-(2H-tetrazol-5-yl)thiophen-2-yl]benzenesulfonamide is sourced from PubChem (CID 69335286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).