N-benzyl-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide

C15H15N5O3S — CID 24792437

IUPACN-benzyl-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2ccccc2)ccc1-n1cnnn1
InChIInChI=1S/C15H15N5O3S/c1-23-15-9-13(7-8-14(15)20-11-16-18-19-20)24(21,22)17-10-12-5-3-2-4-6-12/h2-9,11,17H,10H2,1H3
InChIKeyJYQYEVXICHYEPE-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.15
Rot. Bonds6

About N-benzyl-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide

N-benzyl-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 24792437) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-benzyl-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID24792437
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC NameN-benzyl-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2ccccc2)ccc1-n1cnnn1
InChIInChI=1S/C15H15N5O3S/c1-23-15-9-13(7-8-14(15)20-11-16-18-19-20)24(21,22)17-10-12-5-3-2-4-6-12/h2-9,11,17H,10H2,1H3
InChIKeyJYQYEVXICHYEPE-UHFFFAOYSA-N
XLogP1.15
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-benzyl-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide (CID 24792437) is N-benzyl-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-benzyl-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide is COc1cc(S(=O)(=O)NCc2ccccc2)ccc1-n1cnnn1.
What is the InChIKey of N-benzyl-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is JYQYEVXICHYEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-23-15-9-13(7-8-14(15)20-11-16-18-19-20)24(21,22)17-10-12-5-3-2-4-6-12/h2-9,11,17H,10H2,1H3.
What are the key properties of N-benzyl-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide?
N-benzyl-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 345.38 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methoxy-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 24792437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).