3-bromo-5-chloro-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide

C15H13BrClN5O3S — CID 118257220

IUPAC3-bromo-5-chloro-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(Cn2nnnc2-c2c(Br)cc(Cl)cc2S(N)(=O)=O)cc1
InChIInChI=1S/C15H13BrClN5O3S/c1-25-11-4-2-9(3-5-11)8-22-15(19-20-21-22)14-12(16)6-10(17)7-13(14)26(18,23)24/h2-7H,8H2,1H3,(H2,18,23,24)
InChIKeyQHTYUPCAFRLJFK-UHFFFAOYSA-N
MW458.73 g/mol
LogP2.46
Rot. Bonds5

About 3-bromo-5-chloro-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide

3-bromo-5-chloro-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide (PubChem CID 118257220) has the molecular formula C15H13BrClN5O3S and a molecular weight of 458.73 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-5-chloro-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
PubChem CID118257220
Molecular FormulaC15H13BrClN5O3S
Molecular Weight458.73 g/mol
Exact Mass456.96
IUPAC Name3-bromo-5-chloro-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(Cn2nnnc2-c2c(Br)cc(Cl)cc2S(N)(=O)=O)cc1
InChIInChI=1S/C15H13BrClN5O3S/c1-25-11-4-2-9(3-5-11)8-22-15(19-20-21-22)14-12(16)6-10(17)7-13(14)26(18,23)24/h2-7H,8H2,1H3,(H2,18,23,24)
InChIKeyQHTYUPCAFRLJFK-UHFFFAOYSA-N
XLogP2.46
TPSA112.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.73
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(5-bromofuran-2-yl)-1-[(4-methoxyphenyl)methyl]tetrazole
CID 23020046
5-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]tetrazole
CID 23019982
N'-[amino-[(4-methoxyphenyl)methyl]amino]-4-bromo-2-sulfamoylpyridine-3-carboximidamide;4-bromo-3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pyridine-2-sulfonamide
CID 144893839
6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 159854347
5-[4-(difluoromethyl)phenyl]-1-[(4-methoxyphenyl)methyl]tetrazole
CID 154721135
sodium;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;6-bromo-3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide;hydride;bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide);bis(3-iodo-N,N-bis[(4-methoxyphenyl)methyl]-2-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-6-methylbenzenesulfonamide)
CID 158685812
1-[(4-methoxyphenyl)methyl]tetrazole-5-carboxylic acid
CID 12752372
5-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-1H-indole
CID 155934782
5-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]tetrazole
CID 55431609
1-[(4-methoxyphenyl)methyl]-5-(3-phenylpropylsulfonyl)tetrazole
CID 176890412
ethyl 2-[3-iodo-5-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenoxy]acetate
CID 23019881
N-[2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylethyl]methanesulfonamide
CID 56803433

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide?
The IUPAC name of 3-bromo-5-chloro-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide (CID 118257220) is 3-bromo-5-chloro-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-5-chloro-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 3-bromo-5-chloro-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide is COc1ccc(Cn2nnnc2-c2c(Br)cc(Cl)cc2S(N)(=O)=O)cc1.
What is the InChIKey of 3-bromo-5-chloro-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide?
The InChIKey is QHTYUPCAFRLJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN5O3S/c1-25-11-4-2-9(3-5-11)8-22-15(19-20-21-22)14-12(16)6-10(17)7-13(14)26(18,23)24/h2-7H,8H2,1H3,(H2,18,23,24).
What are the key properties of 3-bromo-5-chloro-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide?
3-bromo-5-chloro-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide has a molecular weight of 458.73 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 118257220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).