3-propan-2-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide

C10H13N5O2S — CID 118266061

IUPAC3-propan-2-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCC(C)c1cccc(S(N)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C10H13N5O2S/c1-6(2)7-4-3-5-8(18(11,16)17)9(7)10-12-14-15-13-10/h3-6H,1-2H3,(H2,11,16,17)(H,12,13,14,15)
InChIKeyYYOOWUBXEFBUCM-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.64
Rot. Bonds3

About 3-propan-2-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-propan-2-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118266061) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-propan-2-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-propan-2-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118266061
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name3-propan-2-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCC(C)c1cccc(S(N)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C10H13N5O2S/c1-6(2)7-4-3-5-8(18(11,16)17)9(7)10-12-14-15-13-10/h3-6H,1-2H3,(H2,11,16,17)(H,12,13,14,15)
InChIKeyYYOOWUBXEFBUCM-UHFFFAOYSA-N
XLogP0.64
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-propan-2-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118266061) is 3-propan-2-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-propan-2-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-propan-2-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide is CC(C)c1cccc(S(N)(=O)=O)c1-c1nn[nH]n1.
What is the InChIKey of 3-propan-2-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is YYOOWUBXEFBUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-6(2)7-4-3-5-8(18(11,16)17)9(7)10-12-14-15-13-10/h3-6H,1-2H3,(H2,11,16,17)(H,12,13,14,15).
What are the key properties of 3-propan-2-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-propan-2-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118266061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).