4-chloro-N-(2H-tetrazol-5-yl)benzenesulfonamide

C7H6ClN5O2S — CID 25048371

IUPAC4-chloro-N-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nn[nH]n1)c1ccc(Cl)cc1
InChIInChI=1S/C7H6ClN5O2S/c8-5-1-3-6(4-2-5)16(14,15)11-7-9-12-13-10-7/h1-4H,(H2,9,10,11,12,13)
InChIKeyITYMHBCBMMKPAA-UHFFFAOYSA-N
MW259.68 g/mol
LogP0.65
Rot. Bonds3

About 4-chloro-N-(2H-tetrazol-5-yl)benzenesulfonamide

4-chloro-N-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 25048371) has the molecular formula C7H6ClN5O2S and a molecular weight of 259.68 g/mol. Its IUPAC name is 4-chloro-N-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID25048371
Molecular FormulaC7H6ClN5O2S
Molecular Weight259.68 g/mol
Exact Mass258.99
IUPAC Name4-chloro-N-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nn[nH]n1)c1ccc(Cl)cc1
InChIInChI=1S/C7H6ClN5O2S/c8-5-1-3-6(4-2-5)16(14,15)11-7-9-12-13-10-7/h1-4H,(H2,9,10,11,12,13)
InChIKeyITYMHBCBMMKPAA-UHFFFAOYSA-N
XLogP0.65
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.68
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 935725
N-(2H-tetrazol-5-yl)sulfamate
CID 59847910
N-[(4-chlorophenyl)methyl]-2H-tetrazol-5-amine
CID 961582
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370119
5,7-dichloro-4-[(4-methylphenyl)sulfonylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide
CID 142635728
9-oxo-N-(2H-tetrazol-5-yl)xanthene-2-sulfonamide
CID 6102777
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 6465342
3,5-dichloro-N-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 78843376
N-[(Z)-(4-chlorophenyl)methylideneamino]-2H-tetrazol-5-amine
CID 7188525
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 749784
4-chloro-N-[4-(chloromethyl)phenyl]benzenesulfonamide
CID 65031117

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2H-tetrazol-5-yl)benzenesulfonamide (CID 25048371) is 4-chloro-N-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2H-tetrazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1nn[nH]n1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is ITYMHBCBMMKPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5O2S/c8-5-1-3-6(4-2-5)16(14,15)11-7-9-12-13-10-7/h1-4H,(H2,9,10,11,12,13).
What are the key properties of 4-chloro-N-(2H-tetrazol-5-yl)benzenesulfonamide?
4-chloro-N-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 259.68 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 25048371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).