(5-tert-butyl-2-methoxyphenyl)-(4-fluorophenyl)sulfonylazanide

C17H19FNO3S- — CID 4744690

IUPAC(5-tert-butyl-2-methoxyphenyl)-(4-fluorophenyl)sulfonylazanide
SMILESCOc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H19FNO3S/c1-17(2,3)12-5-10-16(22-4)15(11-12)19-23(20,21)14-8-6-13(18)7-9-14/h5-11H,1-4H3/q-1
InChIKeyBZGYKGBILYVPRZ-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.53
Rot. Bonds4

About (5-tert-butyl-2-methoxyphenyl)-(4-fluorophenyl)sulfonylazanide

(5-tert-butyl-2-methoxyphenyl)-(4-fluorophenyl)sulfonylazanide (PubChem CID 4744690) has the molecular formula C17H19FNO3S- and a molecular weight of 336.41 g/mol. Its IUPAC name is (5-tert-butyl-2-methoxyphenyl)-(4-fluorophenyl)sulfonylazanide.

Molecular Properties

Compound Name(5-tert-butyl-2-methoxyphenyl)-(4-fluorophenyl)sulfonylazanide
PubChem CID4744690
Molecular FormulaC17H19FNO3S-
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name(5-tert-butyl-2-methoxyphenyl)-(4-fluorophenyl)sulfonylazanide
SMILESCOc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H19FNO3S/c1-17(2,3)12-5-10-16(22-4)15(11-12)19-23(20,21)14-8-6-13(18)7-9-14/h5-11H,1-4H3/q-1
InChIKeyBZGYKGBILYVPRZ-UHFFFAOYSA-N
XLogP4.53
TPSA57.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
CID 850108
4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3463733
N-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide
CID 2106216
2-(4-fluorophenyl)sulfonyl-1,4-dimethoxybenzene
CID 132609514
4-(4-tert-butylphenyl)sulfonyl-1-(5-fluoro-2-methoxyphenyl)-5-methyltriazole
CID 164621034
5-tert-butyl-2-(5-fluoro-2-methoxyphenyl)-1H-indole-3-carbaldehyde
CID 5143161
(2,6-dimethylphenyl)-(4-fluorophenyl)sulfonylazanide
CID 4743595
1-(5-fluoro-2-methoxyphenyl)-1-(4-methoxyphenyl)ethanamine
CID 82769168
4-tert-butyl-1-methoxy-2-(methylsulfonylmethyl)benzene
CID 160796966
N-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide
CID 7940797
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94621880

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-2-methoxyphenyl)-(4-fluorophenyl)sulfonylazanide?
The IUPAC name of (5-tert-butyl-2-methoxyphenyl)-(4-fluorophenyl)sulfonylazanide (CID 4744690) is (5-tert-butyl-2-methoxyphenyl)-(4-fluorophenyl)sulfonylazanide.
What is the SMILES notation for (5-tert-butyl-2-methoxyphenyl)-(4-fluorophenyl)sulfonylazanide?
The canonical SMILES for (5-tert-butyl-2-methoxyphenyl)-(4-fluorophenyl)sulfonylazanide is COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (5-tert-butyl-2-methoxyphenyl)-(4-fluorophenyl)sulfonylazanide?
The InChIKey is BZGYKGBILYVPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FNO3S/c1-17(2,3)12-5-10-16(22-4)15(11-12)19-23(20,21)14-8-6-13(18)7-9-14/h5-11H,1-4H3/q-1.
What are the key properties of (5-tert-butyl-2-methoxyphenyl)-(4-fluorophenyl)sulfonylazanide?
(5-tert-butyl-2-methoxyphenyl)-(4-fluorophenyl)sulfonylazanide has a molecular weight of 336.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-2-methoxyphenyl)-(4-fluorophenyl)sulfonylazanide is sourced from PubChem (CID 4744690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).