4-[5-(4-methoxyphenyl)tetrazol-1-yl]benzenesulfonamide

C14H13N5O3S — CID 57390392

IUPAC4-[5-(4-methoxyphenyl)tetrazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2nnnn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H13N5O3S/c1-22-12-6-2-10(3-7-12)14-16-17-18-19(14)11-4-8-13(9-5-11)23(15,20)21/h2-9H,1H3,(H2,15,20,21)
InChIKeyDQPBHLYJLRSBKW-UHFFFAOYSA-N
MW331.36 g/mol
LogP0.99
Rot. Bonds4

About 4-[5-(4-methoxyphenyl)tetrazol-1-yl]benzenesulfonamide

4-[5-(4-methoxyphenyl)tetrazol-1-yl]benzenesulfonamide (PubChem CID 57390392) has the molecular formula C14H13N5O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)tetrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)tetrazol-1-yl]benzenesulfonamide
PubChem CID57390392
Molecular FormulaC14H13N5O3S
Molecular Weight331.36 g/mol
Exact Mass331.07
IUPAC Name4-[5-(4-methoxyphenyl)tetrazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2nnnn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H13N5O3S/c1-22-12-6-2-10(3-7-12)14-16-17-18-19(14)11-4-8-13(9-5-11)23(15,20)21/h2-9H,1H3,(H2,15,20,21)
InChIKeyDQPBHLYJLRSBKW-UHFFFAOYSA-N
XLogP0.99
TPSA112.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methoxyphenyl)-5-phenyl-1H-tetrazole
CID 759777
5-(3-Methoxyphenyl)-1-(4-methoxyphenyl)tetrazole
CID 649149
5-(1-ethyl-1H-tetrazol-5-yl)-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 1236748
N,N-Bis-(4-methoxy-benzyl)-3-methyl-4-tetrazol-1-yl-benzenesulfonamide
CID 1374256
N-(4-Methoxy-benzyl)-3-methyl-4-tetrazol-1-yl-benzenesulfonamide
CID 1442090
4-[1-(4-Methoxyphenyl)-1H-1,2,3,4-tetrazol-5-YL]-1-(4-methylbenzenesulfonyl)piperidine
CID 16013763
6-[1-(4-Methoxyphenyl)tetrazol-5-yl]-1,2lambda6-benzoxathiine 2,2-dioxide
CID 76310490
5-(1-isopropyl-1H-tetrazol-5-yl)-2-methoxy-N-phenylbenzenesulfonamide
CID 1536257
1-(2-Methoxyphenyl)-5-(4-methoxyphenyl)tetrazole
CID 864333
1-(2,4-difluorophenyl)-5-(4-methoxyphenyl)-1H-1,2,3,4-tetraazole
CID 1488269
N-Cyclopentyl-N-(4-methoxy-benzyl)-4-tetrazol-1-yl-benzenesulfonamide
CID 647199
1-(4-methoxyphenyl)-5-(4-(methylsulfonyl)phenyl)-1H-tetrazole
CID 51346951

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)tetrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-methoxyphenyl)tetrazol-1-yl]benzenesulfonamide (CID 57390392) is 4-[5-(4-methoxyphenyl)tetrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)tetrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-methoxyphenyl)tetrazol-1-yl]benzenesulfonamide is COc1ccc(-c2nnnn2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)tetrazol-1-yl]benzenesulfonamide?
The InChIKey is DQPBHLYJLRSBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3S/c1-22-12-6-2-10(3-7-12)14-16-17-18-19(14)11-4-8-13(9-5-11)23(15,20)21/h2-9H,1H3,(H2,15,20,21).
What are the key properties of 4-[5-(4-methoxyphenyl)tetrazol-1-yl]benzenesulfonamide?
4-[5-(4-methoxyphenyl)tetrazol-1-yl]benzenesulfonamide has a molecular weight of 331.36 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)tetrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 57390392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).