sodium [2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-(1-methyltetrazol-5-yl)azanide

C11H9F3N5NaO3S — CID 71813019

IUPACsodium [2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-(1-methyltetrazol-5-yl)azanide
SMILESCn1nnnc1[N-]C(=O)c1ccc(C(F)(F)F)cc1S(C)(=O)=O.[Na+]
InChIInChI=1S/C11H10F3N5O3S.Na/c1-19-10(16-17-18-19)15-9(20)7-4-3-6(11(12,13)14)5-8(7)23(2,21)22;/h3-5H,1-2H3,(H,15,16,18,20);/q;+1/p-1
InChIKeyKEORHIUOTCXYAR-UHFFFAOYSA-M
MW371.28 g/mol
LogP-1.52
Rot. Bonds3

About sodium [2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-(1-methyltetrazol-5-yl)azanide

sodium [2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-(1-methyltetrazol-5-yl)azanide (PubChem CID 71813019) has the molecular formula C11H9F3N5NaO3S and a molecular weight of 371.28 g/mol. Its IUPAC name is sodium [2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-(1-methyltetrazol-5-yl)azanide.

Molecular Properties

Compound Namesodium [2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-(1-methyltetrazol-5-yl)azanide
PubChem CID71813019
Molecular FormulaC11H9F3N5NaO3S
Molecular Weight371.28 g/mol
Exact Mass371.03
IUPAC Namesodium [2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-(1-methyltetrazol-5-yl)azanide
SMILESCn1nnnc1[N-]C(=O)c1ccc(C(F)(F)F)cc1S(C)(=O)=O.[Na+]
InChIInChI=1S/C11H10F3N5O3S.Na/c1-19-10(16-17-18-19)15-9(20)7-4-3-6(11(12,13)14)5-8(7)23(2,21)22;/h3-5H,1-2H3,(H,15,16,18,20);/q;+1/p-1
InChIKeyKEORHIUOTCXYAR-UHFFFAOYSA-M
XLogP-1.52
TPSA108.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 5-1.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(methylsulfonyl)-N-(1-methyl-1H-tetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 71813020
2-methyl-3-(methylsulfonyl)-N-(1-methyl-1H-tetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 60202789
N-ethyl-2-methyl-3-(methylsulfonyl)-N-(1-methyl-1H-tetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 71580292
2-methylsulfonyl-N-(4-methyl-1,2,4-triazol-3-yl)-4-(trifluoromethyl)benzamide
CID 89830695
2-methyl-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 90211636
N-(1-ethyltetrazol-5-yl)-2-methyl-3-methylsulfanyl-4-(trifluoromethyl)benzamide
CID 90211638
2-chloro-3-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 90211652
[2-Methylsulfonyl-4-(trifluoromethyl)benzoyl]-(1-methyltetrazol-5-yl)carbamic acid
CID 117738972
2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118112240
2-methyl-3-methylsulfonyl-4-trifluorometyl-N-(1-propyltetrazol-5-yl)benzamide
CID 118162376
2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118368617
4-(fluoromethyl)-2-methyl-3-methylsulfanyl-N-(1-methyltetrazol-5-yl)benzamide
CID 118491510

Frequently Asked Questions

What is the IUPAC name of sodium [2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-(1-methyltetrazol-5-yl)azanide?
The IUPAC name of sodium [2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-(1-methyltetrazol-5-yl)azanide (CID 71813019) is sodium [2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-(1-methyltetrazol-5-yl)azanide.
What is the SMILES notation for sodium [2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-(1-methyltetrazol-5-yl)azanide?
The canonical SMILES for sodium [2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-(1-methyltetrazol-5-yl)azanide is Cn1nnnc1[N-]C(=O)c1ccc(C(F)(F)F)cc1S(C)(=O)=O.[Na+].
What is the InChIKey of sodium [2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-(1-methyltetrazol-5-yl)azanide?
The InChIKey is KEORHIUOTCXYAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10F3N5O3S.Na/c1-19-10(16-17-18-19)15-9(20)7-4-3-6(11(12,13)14)5-8(7)23(2,21)22;/h3-5H,1-2H3,(H,15,16,18,20);/q;+1/p-1.
What are the key properties of sodium [2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-(1-methyltetrazol-5-yl)azanide?
sodium [2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-(1-methyltetrazol-5-yl)azanide has a molecular weight of 371.28 g/mol, XLogP of -1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-(1-methyltetrazol-5-yl)azanide is sourced from PubChem (CID 71813019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).