N-[3,5-bis(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzenesulfonamide

C15H9F6N5O2S — CID 166204102

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H9F6N5O2S/c16-14(17,18)9-5-10(15(19,20)21)7-11(6-9)23-29(27,28)13-3-1-12(2-4-13)26-8-22-24-25-26/h1-8,23H
InChIKeyHKNHBDOGBBXSLN-UHFFFAOYSA-N
MW437.33 g/mol
LogP3.50
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzenesulfonamide

N-[3,5-bis(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 166204102) has the molecular formula C15H9F6N5O2S and a molecular weight of 437.33 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID166204102
Molecular FormulaC15H9F6N5O2S
Molecular Weight437.33 g/mol
Exact Mass437.04
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C15H9F6N5O2S/c16-14(17,18)9-5-10(15(19,20)21)7-11(6-9)23-29(27,28)13-3-1-12(2-4-13)26-8-22-24-25-26/h1-8,23H
InChIKeyHKNHBDOGBBXSLN-UHFFFAOYSA-N
XLogP3.50
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 9317050
N-[4-(tetrazol-1-yl)phenyl]naphthalene-2-sulfonamide
CID 2467029
4-(azepan-1-ylsulfonyl)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 1448327
2-methyl-5-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]benzoate
CID 7042585
3-chloro-4-(difluoromethoxy)-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 39827496
4-(2-oxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8823653
2-[[4-(tetrazol-1-yl)phenyl]sulfonylamino]-4-(trifluoromethyl)-N-(5,5,5-trifluoropent-1-en-2-yl)benzamide
CID 166770395
3-chloro-4-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 39827484
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 146021431
4-(tetrazol-1-yl)benzenesulfonamide
CID 1239248
N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-bromo-2,3-dimethyl-5-oxopyrazol-1-yl)benzenesulfonamide
CID 142750254
N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7930055

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzenesulfonamide (CID 166204102) is N-[3,5-bis(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzenesulfonamide is O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is HKNHBDOGBBXSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N5O2S/c16-14(17,18)9-5-10(15(19,20)21)7-11(6-9)23-29(27,28)13-3-1-12(2-4-13)26-8-22-24-25-26/h1-8,23H.
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzenesulfonamide?
N-[3,5-bis(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 437.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 166204102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).