N-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide

C15H15N5O3S — CID 154467582

IUPACN-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(Cn2nnc(NS(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C15H15N5O3S/c1-23-13-9-7-12(8-10-13)11-20-17-15(16-19-20)18-24(21,22)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,18)
InChIKeyVNOPQQVXTQFBFS-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.53
Rot. Bonds6

About N-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide

N-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide (PubChem CID 154467582) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
PubChem CID154467582
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC NameN-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(Cn2nnc(NS(=O)(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C15H15N5O3S/c1-23-13-9-7-12(8-10-13)11-20-17-15(16-19-20)18-24(21,22)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,18)
InChIKeyVNOPQQVXTQFBFS-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 145220091
2-[(4-methoxyphenyl)methyl]benzotriazole
CID 3828598
N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 2002654
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-[1-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxalin-2-yl]benzenesulfonamide
CID 2005659
4-methoxy-N-(1-methyl-3-phenylpyrazol-5-yl)benzenesulfonamide
CID 3681501
2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]cyclopentene-1-carboxylic acid
CID 139773742
N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzenesulfonamide
CID 4897163
S-[2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]ethyl] ethanethioate
CID 176706608
(E)-2-fluoro-3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]prop-2-enoic acid
CID 139773562
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 51284216
2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112992791

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide (CID 154467582) is N-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide is COc1ccc(Cn2nnc(NS(=O)(=O)c3ccccc3)n2)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide?
The InChIKey is VNOPQQVXTQFBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-23-13-9-7-12(8-10-13)11-20-17-15(16-19-20)18-24(21,22)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,18).
What are the key properties of N-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide?
N-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide has a molecular weight of 345.38 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 154467582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).