N-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide

C20H16FN5O3S — CID 171357428

IUPACN-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3-c3nn[nH]n3)cc2)cc1
InChIInChI=1S/C20H16FN5O3S/c1-29-16-7-2-13(3-8-16)14-4-9-17(10-5-14)30(27,28)24-19-11-6-15(21)12-18(19)20-22-25-26-23-20/h2-12,24H,1H3,(H,22,23,25,26)
InChIKeyFEMGIKMSAJLVRJ-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.48
Rot. Bonds6

About N-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide

N-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 171357428) has the molecular formula C20H16FN5O3S and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide
PubChem CID171357428
Molecular FormulaC20H16FN5O3S
Molecular Weight425.45 g/mol
Exact Mass425.10
IUPAC NameN-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3-c3nn[nH]n3)cc2)cc1
InChIInChI=1S/C20H16FN5O3S/c1-29-16-7-2-13(3-8-16)14-4-9-17(10-5-14)30(27,28)24-19-11-6-15(21)12-18(19)20-22-25-26-23-20/h2-12,24H,1H3,(H,22,23,25,26)
InChIKeyFEMGIKMSAJLVRJ-UHFFFAOYSA-N
XLogP3.48
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide
CID 171350497
4-fluoro-N-[5-methyl-2-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 44576535
4-methoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 110720303
N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 6470178
4-methyl-N-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 46830882
4-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 1451440
4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 8823430
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370119
4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 8519475
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)phenyl]urea
CID 11168394
4-fluoro-N-[3-[(4-methoxyphenyl)methylamino]quinoxalin-2-yl]benzenesulfonamide
CID 1385919
N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 122184518

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide (CID 171357428) is N-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3-c3nn[nH]n3)cc2)cc1.
What is the InChIKey of N-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is FEMGIKMSAJLVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3S/c1-29-16-7-2-13(3-8-16)14-4-9-17(10-5-14)30(27,28)24-19-11-6-15(21)12-18(19)20-22-25-26-23-20/h2-12,24H,1H3,(H,22,23,25,26).
What are the key properties of N-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide?
N-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 425.45 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 171357428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).