4-propan-2-yloxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide

C11H15N5O3S — CID 110720169

IUPAC4-propan-2-yloxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NCc2nn[nH]n2)cc1
InChIInChI=1S/C11H15N5O3S/c1-8(2)19-9-3-5-10(6-4-9)20(17,18)12-7-11-13-15-16-14-11/h3-6,8,12H,7H2,1-2H3,(H,13,14,15,16)
InChIKeyPKQPDTABHZJXJD-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.47
Rot. Bonds6

About 4-propan-2-yloxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide

4-propan-2-yloxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide (PubChem CID 110720169) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
PubChem CID110720169
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC Name4-propan-2-yloxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NCc2nn[nH]n2)cc1
InChIInChI=1S/C11H15N5O3S/c1-8(2)19-9-3-5-10(6-4-9)20(17,18)12-7-11-13-15-16-14-11/h3-6,8,12H,7H2,1-2H3,(H,13,14,15,16)
InChIKeyPKQPDTABHZJXJD-UHFFFAOYSA-N
XLogP0.47
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 62157363
4-amino-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 81438010
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110780913
N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310
4-amino-3-fluoro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 82843953
N-(5-methyl-2H-triazol-4-yl)-4-propan-2-yloxybenzenesulfonamide
CID 126828292
N-[(5-methoxypyrimidin-2-yl)methyl]-6-(2H-tetrazol-5-yl)pyridine-3-sulfonamide
CID 167901879
3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 46778268
N-[4-[(4-propan-2-yloxyphenyl)methylsulfamoyl]phenyl]acetamide
CID 53281637
N-(2H-tetrazol-5-ylmethylsulfamoyl)propan-2-amine
CID 114810044
5-[(propan-2-ylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106051525
N-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110371567

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-propan-2-yloxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide (CID 110720169) is 4-propan-2-yloxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-propan-2-yloxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-propan-2-yloxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)NCc2nn[nH]n2)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is PKQPDTABHZJXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-8(2)19-9-3-5-10(6-4-9)20(17,18)12-7-11-13-15-16-14-11/h3-6,8,12H,7H2,1-2H3,(H,13,14,15,16).
What are the key properties of 4-propan-2-yloxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
4-propan-2-yloxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 297.34 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110720169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).