N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propan-2-ylbenzenesulfonamide

C17H19N5O2S — CID 16582090

IUPACN-[3-(1-methyltetrazol-5-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)cc1
InChIInChI=1S/C17H19N5O2S/c1-12(2)13-7-9-16(10-8-13)25(23,24)19-15-6-4-5-14(11-15)17-18-20-21-22(17)3/h4-12,19H,1-3H3
InChIKeyOQTNORWCNDOIRM-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.80
Rot. Bonds5

About N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propan-2-ylbenzenesulfonamide

N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 16582090) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1-methyltetrazol-5-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID16582090
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-[3-(1-methyltetrazol-5-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)cc1
InChIInChI=1S/C17H19N5O2S/c1-12(2)13-7-9-16(10-8-13)25(23,24)19-15-6-4-5-14(11-15)17-18-20-21-22(17)3/h4-12,19H,1-3H3
InChIKeyOQTNORWCNDOIRM-UHFFFAOYSA-N
XLogP2.80
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propan-2-ylbenzenesulfonamide (CID 16582090) is N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)cc1.
What is the InChIKey of N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is OQTNORWCNDOIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-12(2)13-7-9-16(10-8-13)25(23,24)19-15-6-4-5-14(11-15)17-18-20-21-22(17)3/h4-12,19H,1-3H3.
What are the key properties of N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propan-2-ylbenzenesulfonamide?
N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyltetrazol-5-yl)phenyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 16582090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).