5-chloro-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-sulfonamide

C11H8ClN5O2S2 — CID 2539283

IUPAC5-chloro-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C11H8ClN5O2S2/c12-10-5-6-11(20-10)21(18,19)14-8-1-3-9(4-2-8)17-7-13-15-16-17/h1-7,14H
InChIKeyNUOZYFQEPQREGN-UHFFFAOYSA-N
MW341.81 g/mol
LogP2.18
Rot. Bonds4

About 5-chloro-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-sulfonamide

5-chloro-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 2539283) has the molecular formula C11H8ClN5O2S2 and a molecular weight of 341.81 g/mol. Its IUPAC name is 5-chloro-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-sulfonamide
PubChem CID2539283
Molecular FormulaC11H8ClN5O2S2
Molecular Weight341.81 g/mol
Exact Mass340.98
IUPAC Name5-chloro-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C11H8ClN5O2S2/c12-10-5-6-11(20-10)21(18,19)14-8-1-3-9(4-2-8)17-7-13-15-16-17/h1-7,14H
InChIKeyNUOZYFQEPQREGN-UHFFFAOYSA-N
XLogP2.18
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.81
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-sulfonamide (CID 2539283) is 5-chloro-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is NUOZYFQEPQREGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5O2S2/c12-10-5-6-11(20-10)21(18,19)14-8-1-3-9(4-2-8)17-7-13-15-16-17/h1-7,14H.
What are the key properties of 5-chloro-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 341.81 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(tetrazol-1-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2539283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).